3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide

C12H14N4OS — CID 132970589

IUPAC3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCCn1cnnc1NC(=O)c1sccc1C1CC1
InChIInChI=1S/C12H14N4OS/c1-2-16-7-13-15-12(16)14-11(17)10-9(5-6-18-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,15,17)
InChIKeyCBLAGNZYEUHLIN-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.49
Rot. Bonds4

About 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide

3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (PubChem CID 132970589) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
PubChem CID132970589
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
SMILESCCn1cnnc1NC(=O)c1sccc1C1CC1
InChIInChI=1S/C12H14N4OS/c1-2-16-7-13-15-12(16)14-11(17)10-9(5-6-18-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,15,17)
InChIKeyCBLAGNZYEUHLIN-UHFFFAOYSA-N
XLogP2.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide (CID 132970589) is 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is CCn1cnnc1NC(=O)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
The InChIKey is CBLAGNZYEUHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-16-7-13-15-12(16)14-11(17)10-9(5-6-18-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,15,17).
What are the key properties of 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide?
3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(4-ethyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 132970589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).