4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde

CAS: 129865-54-9

Formula: C6H7ClN2OS

SMILES: CN(C)C1=NC(Cl)=C(S1)C=O

IUPAC: 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde

InChI: InChI=1S/C6H7ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h3H,1-2H3

Composition: C (37.80%), H (3.70%), Cl (18.59%), N (14.69%), O (8.39%), S (16.82%)

Molar Mass: 190.65

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.9967617
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WQEAFACWNKVEMO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.4
Topological Polar Surface Area	33.2
Polarizability	16.93
Ring Count	1
Rotatable Bond Count	2

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