5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

CAS: 870693-07-5

Formula: C13H17N3S

SMILES: CN(C)CC1=C(N=C(N)S1)C1=CC=C(C)C=C1

IUPAC: 5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

InChI: InChI=1S/C13H17N3S/c1-9-4-6-10(7-5-9)12-11(8-16(2)3)17-13(14)15-12/h4-7H,8H2,1-3H3,(H2,14,15)

Composition: C (63.12%), H (6.93%), N (16.99%), S (12.96%)

Molar Mass: 247.36

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.114318733
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KWYWXJMTLIFSKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.57
Topological Polar Surface Area	42.15
Polarizability	29.02
Ring Count	2
Rotatable Bond Count	3

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