N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide

C13H15N3OS2 — CID 25162698

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nnc(C3CC3)s2)sc1C
InChIInChI=1S/C13H15N3OS2/c1-3-8-6-10(18-7(8)2)11(17)14-13-16-15-12(19-13)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyHMHMGJBDGGXFAI-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.60
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 25162698) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID25162698
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2nnc(C3CC3)s2)sc1C
InChIInChI=1S/C13H15N3OS2/c1-3-8-6-10(18-7(8)2)11(17)14-13-16-15-12(19-13)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyHMHMGJBDGGXFAI-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide (CID 25162698) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)Nc2nnc(C3CC3)s2)sc1C.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is HMHMGJBDGGXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-3-8-6-10(18-7(8)2)11(17)14-13-16-15-12(19-13)9-4-5-9/h6,9H,3-5H2,1-2H3,(H,14,16,17).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 25162698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).