5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C13H17N3OS2 — CID 18093759

IUPAC5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nnc(C(C)C)s2)cc1C
InChIInChI=1S/C13H17N3OS2/c1-5-9-8(4)6-10(18-9)11(17)14-13-16-15-12(19-13)7(2)3/h6-7H,5H2,1-4H3,(H,14,16,17)
InChIKeyCTESUFZXHXRJBV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.85
Rot. Bonds4

About 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 18093759) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID18093759
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nnc(C(C)C)s2)cc1C
InChIInChI=1S/C13H17N3OS2/c1-5-9-8(4)6-10(18-9)11(17)14-13-16-15-12(19-13)7(2)3/h6-7H,5H2,1-4H3,(H,14,16,17)
InChIKeyCTESUFZXHXRJBV-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 18139536
5-ethyl-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393539
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
2-(diethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865012
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
CID 115701533
5-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 78802800
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 18093759) is 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCc1sc(C(=O)Nc2nnc(C(C)C)s2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is CTESUFZXHXRJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-5-9-8(4)6-10(18-9)11(17)14-13-16-15-12(19-13)7(2)3/h6-7H,5H2,1-4H3,(H,14,16,17).
What are the key properties of 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18093759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).