2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide

C15H22N2OS — CID 55260122

IUPAC2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(NCCOC2CCCC2)c1
InChIInChI=1S/C15H22N2OS/c1-11-6-7-13(15(16)19)14(10-11)17-8-9-18-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H2,16,19)
InChIKeyNCQZSODIKSPMHI-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.00
Rot. Bonds6

About 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide

2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide (PubChem CID 55260122) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide
PubChem CID55260122
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(NCCOC2CCCC2)c1
InChIInChI=1S/C15H22N2OS/c1-11-6-7-13(15(16)19)14(10-11)17-8-9-18-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H2,16,19)
InChIKeyNCQZSODIKSPMHI-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide 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-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide
CID 81297349
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
CID 63870027
2-(2-butoxyethylamino)-4-methylbenzenecarbothioamide
CID 62303633
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
CID 63828659
4-(2-cyclopentyloxyethylamino)-2-fluorobenzenecarbothioamide
CID 115368354
4-methyl-2-(3-propoxypropylamino)benzenecarbothioamide
CID 82939999
4-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515840
2-[(2-ethylcyclohexyl)amino]-4-methylbenzenecarbothioamide
CID 55224049
4-methyl-2-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 62307855
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314848
2-[2-(4-hydroxyphenyl)ethylamino]-4-methylbenzenecarbothioamide
CID 62303779
ethyl 4-(2-carbamothioyl-5-methylanilino)butanoate
CID 64575433

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide?
The IUPAC name of 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide (CID 55260122) is 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide.
What is the SMILES notation for 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide?
The canonical SMILES for 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide is Cc1ccc(C(N)=S)c(NCCOC2CCCC2)c1.
What is the InChIKey of 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide?
The InChIKey is NCQZSODIKSPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-6-7-13(15(16)19)14(10-11)17-8-9-18-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9H2,1H3,(H2,16,19).
What are the key properties of 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide?
2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide has a molecular weight of 278.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide is sourced from PubChem (CID 55260122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).