N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide

C13H16N4O2S — CID 166248979

IUPACN-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide
SMILESCOCc1sccc1C(=O)Nc1nnc(C2CC2)n1C
InChIInChI=1S/C13H16N4O2S/c1-17-11(8-3-4-8)15-16-13(17)14-12(18)9-5-6-20-10(9)7-19-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,16,18)
InChIKeyNBCQTIUMGYTLQC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.15
Rot. Bonds5

About N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide

N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide (PubChem CID 166248979) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide
PubChem CID166248979
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide
SMILESCOCc1sccc1C(=O)Nc1nnc(C2CC2)n1C
InChIInChI=1S/C13H16N4O2S/c1-17-11(8-3-4-8)15-16-13(17)14-12(18)9-5-6-20-10(9)7-19-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,16,18)
InChIKeyNBCQTIUMGYTLQC-UHFFFAOYSA-N
XLogP2.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide (CID 166248979) is N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide is COCc1sccc1C(=O)Nc1nnc(C2CC2)n1C.
What is the InChIKey of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide?
The InChIKey is NBCQTIUMGYTLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17-11(8-3-4-8)15-16-13(17)14-12(18)9-5-6-20-10(9)7-19-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,16,18).
What are the key properties of N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide?
N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2-(methoxymethyl)thiophene-3-carboxamide is sourced from PubChem (CID 166248979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).