3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C14H13N3O2S2 — CID 24980783

IUPAC3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H13N3O2S2/c1-3-9-12(8(2)19-17-9)13(18)16-14-15-10(7-21-14)11-5-4-6-20-11/h4-7H,3H2,1-2H3,(H,15,16,18)
InChIKeyQWZCJCTWHDJVGX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.98
Rot. Bonds4

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

3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 24980783) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID24980783
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H13N3O2S2/c1-3-9-12(8(2)19-17-9)13(18)16-14-15-10(7-21-14)11-5-4-6-20-11/h4-7H,3H2,1-2H3,(H,15,16,18)
InChIKeyQWZCJCTWHDJVGX-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43623062
3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 33313345
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357398
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24652666
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-formyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 162691706
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 24980783) is 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is QWZCJCTWHDJVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-3-9-12(8(2)19-17-9)13(18)16-14-15-10(7-21-14)11-5-4-6-20-11/h4-7H,3H2,1-2H3,(H,15,16,18).
What are the key properties of 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24980783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).