5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

C12H12N4O2S2 — CID 102551808

IUPAC5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCc1nnc(NC(=O)C2(C)CC(c3cccs3)=NO2)s1
InChIInChI=1S/C12H12N4O2S2/c1-7-14-15-11(20-7)13-10(17)12(2)6-8(16-18-12)9-4-3-5-19-9/h3-5H,6H2,1-2H3,(H,13,15,17)
InChIKeyRQMCDBNHMSFADQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.43
Rot. Bonds3

About 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 102551808) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID102551808
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCc1nnc(NC(=O)C2(C)CC(c3cccs3)=NO2)s1
InChIInChI=1S/C12H12N4O2S2/c1-7-14-15-11(20-7)13-10(17)12(2)6-8(16-18-12)9-4-3-5-19-9/h3-5H,6H2,1-2H3,(H,13,15,17)
InChIKeyRQMCDBNHMSFADQ-UHFFFAOYSA-N
XLogP2.43
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465587
(5S)-5-methyl-N-(4-methyl-2-pyridinyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815777
(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815757
(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815760
(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815768
N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551812
(5S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465439
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551896
(5R)-5-methyl-N-(3-pyrazol-1-ylpropyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815742
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
(2-methylpiperidin-1-yl)-(5-methyl-3-thiophen-2-yl-4H-1,2-oxazol-5-yl)methanone
CID 102551898

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (CID 102551808) is 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is Cc1nnc(NC(=O)C2(C)CC(c3cccs3)=NO2)s1.
What is the InChIKey of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is RQMCDBNHMSFADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c1-7-14-15-11(20-7)13-10(17)12(2)6-8(16-18-12)9-4-3-5-19-9/h3-5H,6H2,1-2H3,(H,13,15,17).
What are the key properties of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 102551808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).