2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C14H25N5OS — CID 79586712

IUPAC2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC1CCSc1nncn1C
InChIInChI=1S/C14H25N5OS/c1-10(2)17-14(12(15)20)7-4-5-11(14)6-8-21-13-18-16-9-19(13)3/h9-11,17H,4-8H2,1-3H3,(H2,15,20)
InChIKeyHSDFRAIFNBQUNT-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.32
Rot. Bonds7

About 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79586712) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79586712
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC1CCSc1nncn1C
InChIInChI=1S/C14H25N5OS/c1-10(2)17-14(12(15)20)7-4-5-11(14)6-8-21-13-18-16-9-19(13)3/h9-11,17H,4-8H2,1-3H3,(H2,15,20)
InChIKeyHSDFRAIFNBQUNT-UHFFFAOYSA-N
XLogP1.32
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79582029
1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxamide
CID 79571409
[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581796
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79586391
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077
methyl 1-(propan-2-ylamino)-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79586576
1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79587868
1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587817
methyl 1-(ethylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603829
1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 79581093

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79586712) is 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCCC1CCSc1nncn1C.
What is the InChIKey of 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is HSDFRAIFNBQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-10(2)17-14(12(15)20)7-4-5-11(14)6-8-21-13-18-16-9-19(13)3/h9-11,17H,4-8H2,1-3H3,(H2,15,20).
What are the key properties of 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79586712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).