7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide

C16H12ClN3O2S — CID 71923097

IUPAC7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C16H12ClN3O2S/c17-10-3-1-9-2-4-12(18-13(9)7-10)15(21)20-16-19-11-5-6-22-8-14(11)23-16/h1-4,7H,5-6,8H2,(H,19,20,21)
InChIKeyZPDSFZRYDSCNOI-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.67
Rot. Bonds2

About 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide

7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 71923097) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide
PubChem CID71923097
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C16H12ClN3O2S/c17-10-3-1-9-2-4-12(18-13(9)7-10)15(21)20-16-19-11-5-6-22-8-14(11)23-16/h1-4,7H,5-6,8H2,(H,19,20,21)
InChIKeyZPDSFZRYDSCNOI-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide with MolForge

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Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 128553213
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3,4-dimethylbenzamide
CID 90543562
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 71794708
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide
CID 90543512
1-(4-chlorophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90543646
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
CID 16547092
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71794719

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide (CID 71923097) is 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide is O=C(Nc1nc2c(s1)COCC2)c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is ZPDSFZRYDSCNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-10-3-1-9-2-4-12(18-13(9)7-10)15(21)20-16-19-11-5-6-22-8-14(11)23-16/h1-4,7H,5-6,8H2,(H,19,20,21).
What are the key properties of 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide?
7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 345.81 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 71923097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).