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N1-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine hydrobromide

N1-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine hydrobromide

CAS: 1052530-79-6

Formula: C14H13BrN4S

SMILES: Br.NC1=CC=C(NC2=NC(=CS2)C2=CC=NC=C2)C=C1

IUPAC: N1-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine hydrobromide

InChI: InChI=1S/C14H12N4S.BrH/c15-11-1-3-12(4-2-11)17-14-18-13(9-19-14)10-5-7-16-8-6-10;/h1-9H,15H2,(H,17,18);1H

Composition: C (48.15%), H (3.75%), Br (22.88%), N (16.04%), S (9.18%)

Molar Mass: 349.25

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 348.004431
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VMAYVHOFWBMQQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.53
Topological Polar Surface Area 63.83
Polarizability 30.03
Ring Count 3
Rotatable Bond Count 3

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95% <2 Days 1052530-79-6 $404.27$404.27
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