3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C14H11N3OS2 — CID 47143281

IUPAC3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2nncs2)cc1
InChIInChI=1S/C14H11N3OS2/c1-9-2-4-10(5-3-9)11-6-7-19-12(11)13(18)16-14-17-15-8-20-14/h2-8H,1H3,(H,16,17,18)
InChIKeyXDVOUNIDEARUFF-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.83
Rot. Bonds3

About 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 47143281) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID47143281
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC Name3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2nncs2)cc1
InChIInChI=1S/C14H11N3OS2/c1-9-2-4-10(5-3-9)11-6-7-19-12(11)13(18)16-14-17-15-8-20-14/h2-8H,1H3,(H,16,17,18)
InChIKeyXDVOUNIDEARUFF-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 60615636
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18225324
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7669337
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
2-hydrazinyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62510782
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 24626228
4-methyl-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 53369718
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4621052

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 47143281) is 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2nncs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is XDVOUNIDEARUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-9-2-4-10(5-3-9)11-6-7-19-12(11)13(18)16-14-17-15-8-20-14/h2-8H,1H3,(H,16,17,18).
What are the key properties of 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47143281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).