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

C11H12N4OS2 — CID 118432880

IUPAC4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3N)cs2)s1
InChIInChI=1S/C11H12N4OS2/c1-5-14-15-11(18-5)13-10(16)9-2-6(4-17-9)7-3-8(7)12/h2,4,7-8H,3,12H2,1H3,(H,13,15,16)
InChIKeyWTPUUFBHLQWNPF-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.97
Rot. Bonds3

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

4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 118432880) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID118432880
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3N)cs2)s1
InChIInChI=1S/C11H12N4OS2/c1-5-14-15-11(18-5)13-10(16)9-2-6(4-17-9)7-3-8(7)12/h2,4,7-8H,3,12H2,1H3,(H,13,15,16)
InChIKeyWTPUUFBHLQWNPF-UHFFFAOYSA-N
XLogP1.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 118432880) is 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is Cc1nnc(NC(=O)c2cc(C3CC3N)cs2)s1.
What is the InChIKey of 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is WTPUUFBHLQWNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-5-14-15-11(18-5)13-10(16)9-2-6(4-17-9)7-3-8(7)12/h2,4,7-8H,3,12H2,1H3,(H,13,15,16).
What are the key properties of 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).