4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide

C14H17N3OS — CID 34815435

IUPAC4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C14H17N3OS/c1-4-12-13(19-17-16-12)14(18)15-10(3)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyKSAOPVWIGGFEOH-JTQLQIEISA-N
MW275.38 g/mol
LogP2.90
Rot. Bonds4

About 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide

4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide (PubChem CID 34815435) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
PubChem CID34815435
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C14H17N3OS/c1-4-12-13(19-17-16-12)14(18)15-10(3)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyKSAOPVWIGGFEOH-JTQLQIEISA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51935776
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 46523449
N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120505502
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617107
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
N-[(4-ethylthiadiazol-5-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094965
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 125446947
4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
CID 94800227

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide (CID 34815435) is 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@@H](C)c1ccccc1C.
What is the InChIKey of 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is KSAOPVWIGGFEOH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-12-13(19-17-16-12)14(18)15-10(3)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 34815435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).