2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide

C13H22N4S — CID 103002660

IUPAC2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
SMILESCn1cc(CCN(CC(N)=S)C2CCCC2)cn1
InChIInChI=1S/C13H22N4S/c1-16-9-11(8-15-16)6-7-17(10-13(14)18)12-4-2-3-5-12/h8-9,12H,2-7,10H2,1H3,(H2,14,18)
InChIKeyXZEUFQYZXRKYPH-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.49
Rot. Bonds6

About 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide

2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide (PubChem CID 103002660) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
PubChem CID103002660
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
SMILESCn1cc(CCN(CC(N)=S)C2CCCC2)cn1
InChIInChI=1S/C13H22N4S/c1-16-9-11(8-15-16)6-7-17(10-13(14)18)12-4-2-3-5-12/h8-9,12H,2-7,10H2,1H3,(H2,14,18)
InChIKeyXZEUFQYZXRKYPH-UHFFFAOYSA-N
XLogP1.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide 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

2-[2-(1-methylpyrazol-4-yl)ethyl-propylamino]ethanethioamide
CID 103002627
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 103001382
4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]benzenecarbothioamide
CID 103002637
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carbothioamide
CID 103002659
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
3-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936306
2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
CID 114191209
2-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentan-1-amine
CID 103004175

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide?
The IUPAC name of 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide (CID 103002660) is 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide.
What is the SMILES notation for 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide?
The canonical SMILES for 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide is Cn1cc(CCN(CC(N)=S)C2CCCC2)cn1.
What is the InChIKey of 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide?
The InChIKey is XZEUFQYZXRKYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-16-9-11(8-15-16)6-7-17(10-13(14)18)12-4-2-3-5-12/h8-9,12H,2-7,10H2,1H3,(H2,14,18).
What are the key properties of 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide?
2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide has a molecular weight of 266.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide is sourced from PubChem (CID 103002660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).