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

C14H10N2O3S — CID 705931

IUPAC2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C14H10N2O3S/c15-12(17)6-13-16-10(7-20-13)9-5-8-3-1-2-4-11(8)19-14(9)18/h1-5,7H,6H2,(H2,15,17)
InChIKeyBJNXCXJNETXMGX-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.94
Rot. Bonds3

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

2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 705931) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID705931
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C14H10N2O3S/c15-12(17)6-13-16-10(7-20-13)9-5-8-3-1-2-4-11(8)19-14(9)18/h1-5,7H,6H2,(H2,15,17)
InChIKeyBJNXCXJNETXMGX-UHFFFAOYSA-N
XLogP1.94
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
CID 8005733
3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
CID 71419333
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 154050171
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
3-[2-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-4-yl]chromen-2-one
CID 46395015
2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 41340432
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]naphthalene-2-carbohydrazide
CID 87727212
3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one
CID 16644544
3-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900301
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
3-[2-(2-benzhydrylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 4006186
3-(1,2,5-oxadiazol-3-yl)chromen-2-one
CID 141396662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (CID 705931) is 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BJNXCXJNETXMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c15-12(17)6-13-16-10(7-20-13)9-5-8-3-1-2-4-11(8)19-14(9)18/h1-5,7H,6H2,(H2,15,17).
What are the key properties of 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 286.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 705931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).