5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide

C17H17N3OS2 — CID 27991579

IUPAC5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)sc1C
InChIInChI=1S/C17H17N3OS2/c1-3-7-13-10-14(22-11(13)2)15(21)18-17-20-19-16(23-17)12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3,(H,18,20,21)
InChIKeyZEYMJPRTMGXOCS-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.78
Rot. Bonds5

About 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide

5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide (PubChem CID 27991579) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide
PubChem CID27991579
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)sc1C
InChIInChI=1S/C17H17N3OS2/c1-3-7-13-10-14(22-11(13)2)15(21)18-17-20-19-16(23-17)12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3,(H,18,20,21)
InChIKeyZEYMJPRTMGXOCS-UHFFFAOYSA-N
XLogP4.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61320020
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 26893935
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 7916066
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-(2-hydroxy-1-phenylethyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 63182272
4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 40676303
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9370107
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide (CID 27991579) is 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)sc1C.
What is the InChIKey of 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide?
The InChIKey is ZEYMJPRTMGXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-3-7-13-10-14(22-11(13)2)15(21)18-17-20-19-16(23-17)12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3,(H,18,20,21).
What are the key properties of 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide?
5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 27991579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).