3-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile

3-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile

CAS: 866009-32-7

Formula: C10H13ClN4OS

SMILES: ClC1=NSC(NCCN2CCOCC2)=C1C#N

IUPAC: 3-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile

InChI: InChI=1S/C10H13ClN4OS/c11-9-8(7-12)10(17-14-9)13-1-2-15-3-5-16-6-4-15/h13H,1-6H2

Composition: C (44.04%), H (4.80%), Cl (13.00%), N (20.54%), O (5.87%), S (11.75%)

Molar Mass: 272.75

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.0498599
Formal Charge	0
FSP3	0.6
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RKRFNFNVSLZSGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.03
Topological Polar Surface Area	61.18
Polarizability	25.7
Ring Count	2
Rotatable Bond Count	4

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