N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide

C17H9ClN2O3S2 — CID 4152783

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1coc2ccccc2c1=O
InChIInChI=1S/C17H9ClN2O3S2/c18-14-6-5-13(25-14)11-8-24-17(19-11)20-16(22)10-7-23-12-4-2-1-3-9(12)15(10)21/h1-8H,(H,19,20,22)
InChIKeyXKCPEYNLZWTNFG-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.88
Rot. Bonds3

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide (PubChem CID 4152783) has the molecular formula C17H9ClN2O3S2 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
PubChem CID4152783
Molecular FormulaC17H9ClN2O3S2
Molecular Weight388.86 g/mol
Exact Mass387.97
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1coc2ccccc2c1=O
InChIInChI=1S/C17H9ClN2O3S2/c18-14-6-5-13(25-14)11-8-24-17(19-11)20-16(22)10-7-23-12-4-2-1-3-9(12)15(10)21/h1-8H,(H,19,20,22)
InChIKeyXKCPEYNLZWTNFG-UHFFFAOYSA-N
XLogP4.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4156836
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4216025
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171
2-(5-chlorothiophen-2-yl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3445405
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60520102
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2574692

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide (CID 4152783) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide is O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1coc2ccccc2c1=O.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
The InChIKey is XKCPEYNLZWTNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN2O3S2/c18-14-6-5-13(25-14)11-8-24-17(19-11)20-16(22)10-7-23-12-4-2-1-3-9(12)15(10)21/h1-8H,(H,19,20,22).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide is sourced from PubChem (CID 4152783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).