1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-1,4-diazepane

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-1,4-diazepane

CAS: 882748-04-1

Formula: C10H16ClN3S

SMILES: CN1CCCN(CC2=CN=C(Cl)S2)CC1

IUPAC: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-1,4-diazepane

InChI: InChI=1S/C10H16ClN3S/c1-13-3-2-4-14(6-5-13)8-9-7-12-10(11)15-9/h7H,2-6,8H2,1H3

Composition: C (48.87%), H (6.56%), Cl (14.42%), N (17.10%), S (13.04%)

Molar Mass: 245.77

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.0753464
Formal Charge	0
FSP3	0.7
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XLFVRPBCBCFIPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.53
Topological Polar Surface Area	19.37
Polarizability	25.32
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	882748-04-1		$51.35-$86.31$51.35$63.37$86.31