5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide

C18H17N3O2S — CID 56973796

IUPAC5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)N[C@@H](C)c3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(13-6-4-3-5-7-13)19-16(22)18-21-20-17(24-18)14-8-10-15(23-2)11-9-14/h3-12H,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyPQHHKICBUYEEDE-LBPRGKRZSA-N
MW339.42 g/mol
LogP3.70
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide

5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 56973796) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID56973796
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)N[C@@H](C)c3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(13-6-4-3-5-7-13)19-16(22)18-21-20-17(24-18)14-8-10-15(23-2)11-9-14/h3-12H,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyPQHHKICBUYEEDE-LBPRGKRZSA-N
XLogP3.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2,4-thiadiazole-5-carboxamide
CID 54133730
5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624604
5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57052620
5-(ethylamino)-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617577
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
2-[(2,2-diphenylacetyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 3594336
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51370258
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide (CID 56973796) is 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide is COc1ccc(-c2nnc(C(=O)N[C@@H](C)c3ccccc3)s2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PQHHKICBUYEEDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(13-6-4-3-5-7-13)19-16(22)18-21-20-17(24-18)14-8-10-15(23-2)11-9-14/h3-12H,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 56973796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).