2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

C18H11ClN2O3S2 — CID 41340432

IUPAC2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C18H11ClN2O3S2/c19-15-6-5-11(26-15)8-16(22)21-18-20-13(9-25-18)12-7-10-3-1-2-4-14(10)24-17(12)23/h1-7,9H,8H2,(H,20,21,22)
InChIKeyYQLSDHDUVQYNHW-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.81
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 41340432) has the molecular formula C18H11ClN2O3S2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID41340432
Molecular FormulaC18H11ClN2O3S2
Molecular Weight402.88 g/mol
Exact Mass401.99
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C18H11ClN2O3S2/c19-15-6-5-11(26-15)8-16(22)21-18-20-13(9-25-18)12-7-10-3-1-2-4-14(10)24-17(12)23/h1-7,9H,8H2,(H,20,21,22)
InChIKeyYQLSDHDUVQYNHW-UHFFFAOYSA-N
XLogP4.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
1-(3-chlorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
CID 5146841
N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-N-(2-pyrrolidin-1-ylethyl)butanediamide
CID 126479036
4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide
CID 1307730
3-(4-methoxyphenyl)sulfanyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 41324862
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide
CID 2001935
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 705931
2-(5-chlorothiophen-2-yl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 41340418
3-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900301

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (CID 41340432) is 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccc(Cl)s1)Nc1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YQLSDHDUVQYNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3S2/c19-15-6-5-11(26-15)8-16(22)21-18-20-13(9-25-18)12-7-10-3-1-2-4-14(10)24-17(12)23/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.88 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 41340432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).