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

C12H10ClN3O2S2 — CID 47299862

IUPAC3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1csc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)n1
InChIInChI=1S/C12H10ClN3O2S2/c1-6-5-19-12(14-6)15-11(17)8-4-7(16-18-8)9-2-3-10(13)20-9/h2-3,5,8H,4H2,1H3,(H,14,15,17)
InChIKeyOXYFAHAKPPMMHN-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.30
Rot. Bonds3

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

3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 47299862) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID47299862
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1csc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)n1
InChIInChI=1S/C12H10ClN3O2S2/c1-6-5-19-12(14-6)15-11(17)8-4-7(16-18-8)9-2-3-10(13)20-9/h2-3,5,8H,4H2,1H3,(H,14,15,17)
InChIKeyOXYFAHAKPPMMHN-UHFFFAOYSA-N
XLogP3.30
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 47299862) is 3-(5-chlorothiophen-2-yl)-N-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1csc(NC(=O)C2CC(c3ccc(Cl)s3)=NO2)n1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OXYFAHAKPPMMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c1-6-5-19-12(14-6)15-11(17)8-4-7(16-18-8)9-2-3-10(13)20-9/h2-3,5,8H,4H2,1H3,(H,14,15,17).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47299862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).