5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide

C15H13N3OS2 — CID 57052620

IUPAC5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccccc2)s1)c1cccs1
InChIInChI=1S/C15H13N3OS2/c1-10(12-8-5-9-20-12)16-13(19)15-18-17-14(21-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19)/t10-/m0/s1
InChIKeyBGTPSSAUKOHXTD-JTQLQIEISA-N
MW315.42 g/mol
LogP3.76
Rot. Bonds4

About 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide

5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 57052620) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID57052620
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccccc2)s1)c1cccs1
InChIInChI=1S/C15H13N3OS2/c1-10(12-8-5-9-20-12)16-13(19)15-18-17-14(21-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19)/t10-/m0/s1
InChIKeyBGTPSSAUKOHXTD-JTQLQIEISA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56973796
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490
5-(phenoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 33465538
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 24515088
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
CID 43020450

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide (CID 57052620) is 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide is C[C@H](NC(=O)c1nnc(-c2ccccc2)s1)c1cccs1.
What is the InChIKey of 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BGTPSSAUKOHXTD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-10(12-8-5-9-20-12)16-13(19)15-18-17-14(21-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide?
5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 57052620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).