3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C11H13N3OS2 — CID 34109190

IUPAC3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2sccc2C)s1
InChIInChI=1S/C11H13N3OS2/c1-3-4-8-13-14-11(17-8)12-10(15)9-7(2)5-6-16-9/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyBNJCNHBYHGGVLR-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.11
Rot. Bonds4

About 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 34109190) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID34109190
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2sccc2C)s1
InChIInChI=1S/C11H13N3OS2/c1-3-4-8-13-14-11(17-8)12-10(15)9-7(2)5-6-16-9/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyBNJCNHBYHGGVLR-UHFFFAOYSA-N
XLogP3.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 154866590
3-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47366067
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-[4-methyl-5-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34112240

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 34109190) is 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCCc1nnc(NC(=O)c2sccc2C)s1.
What is the InChIKey of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is BNJCNHBYHGGVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-4-8-13-14-11(17-8)12-10(15)9-7(2)5-6-16-9/h5-6H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 34109190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).