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

C11H13N3OS2 — CID 1245519

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nnc(C)s2)cs1
InChIInChI=1S/C11H13N3OS2/c1-3-4-9-5-8(6-16-9)10(15)12-11-14-13-7(2)17-11/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyNWUGJNCKGDORAT-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.11
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide (PubChem CID 1245519) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide
PubChem CID1245519
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nnc(C)s2)cs1
InChIInChI=1S/C11H13N3OS2/c1-3-4-9-5-8(6-16-9)10(15)12-11-14-13-7(2)17-11/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyNWUGJNCKGDORAT-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide (CID 1245519) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)Nc2nnc(C)s2)cs1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide?
The InChIKey is NWUGJNCKGDORAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-4-9-5-8(6-16-9)10(15)12-11-14-13-7(2)17-11/h5-6H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-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 N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 1245519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).