N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H24N4OS — CID 50981617

IUPACN-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(CN(C(=O)C(C)Cn2cncn2)C2CCCC2)s1
InChIInChI=1S/C17H24N4OS/c1-13(9-20-12-18-11-19-20)17(22)21(15-5-3-4-6-15)10-16-8-7-14(2)23-16/h7-8,11-13,15H,3-6,9-10H2,1-2H3
InChIKeyQKFLRPPJTLGXLZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.26
Rot. Bonds6

About N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 50981617) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID50981617
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(CN(C(=O)C(C)Cn2cncn2)C2CCCC2)s1
InChIInChI=1S/C17H24N4OS/c1-13(9-20-12-18-11-19-20)17(22)21(15-5-3-4-6-15)10-16-8-7-14(2)23-16/h7-8,11-13,15H,3-6,9-10H2,1-2H3
InChIKeyQKFLRPPJTLGXLZ-UHFFFAOYSA-N
XLogP3.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 50981617) is N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1ccc(CN(C(=O)C(C)Cn2cncn2)C2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is QKFLRPPJTLGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13(9-20-12-18-11-19-20)17(22)21(15-5-3-4-6-15)10-16-8-7-14(2)23-16/h7-8,11-13,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 50981617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).