3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C12H10ClN3O2S2 — CID 47062373

IUPAC3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(c2ccc(Cl)s2)=NO1)c1nccs1
InChIInChI=1S/C12H10ClN3O2S2/c1-16(12-14-4-5-19-12)11(17)8-6-7(15-18-8)9-2-3-10(13)20-9/h2-5,8H,6H2,1H3
InChIKeyIOMUFQRRCCVSEU-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.01
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 47062373) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID47062373
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(c2ccc(Cl)s2)=NO1)c1nccs1
InChIInChI=1S/C12H10ClN3O2S2/c1-16(12-14-4-5-19-12)11(17)8-6-7(15-18-8)9-2-3-10(13)20-9/h2-5,8H,6H2,1H3
InChIKeyIOMUFQRRCCVSEU-UHFFFAOYSA-N
XLogP3.01
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 47062373) is 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C(=O)C1CC(c2ccc(Cl)s2)=NO1)c1nccs1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IOMUFQRRCCVSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c1-16(12-14-4-5-19-12)11(17)8-6-7(15-18-8)9-2-3-10(13)20-9/h2-5,8H,6H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47062373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).