[(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate

C19H21ClN2S — CID 8775139

IUPAC[(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate
SMILESN/C(=N\C1CCCC1)S[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2S/c20-16-12-10-15(11-13-16)18(14-6-2-1-3-7-14)23-19(21)22-17-8-4-5-9-17/h1-3,6-7,10-13,17-18H,4-5,8-9H2,(H2,21,22)/t18-/m0/s1
InChIKeyKDTHMGJZIYPVNM-SFHVURJKSA-N
MW344.91 g/mol
LogP5.42
Rot. Bonds4

About [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate

[(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate (PubChem CID 8775139) has the molecular formula C19H21ClN2S and a molecular weight of 344.91 g/mol. Its IUPAC name is [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate.

Molecular Properties

Compound Name[(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate
PubChem CID8775139
Molecular FormulaC19H21ClN2S
Molecular Weight344.91 g/mol
Exact Mass344.11
IUPAC Name[(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate
SMILESN/C(=N\C1CCCC1)S[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2S/c20-16-12-10-15(11-13-16)18(14-6-2-1-3-7-14)23-19(21)22-17-8-4-5-9-17/h1-3,6-7,10-13,17-18H,4-5,8-9H2,(H2,21,22)/t18-/m0/s1
InChIKeyKDTHMGJZIYPVNM-SFHVURJKSA-N
XLogP5.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.91
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate 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

[(S)-(4-chlorophenyl)-phenylmethyl] N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate
CID 8775554
[(R)-(4-chlorophenyl)-phenylmethyl] carbamimidothioate
CID 8830091
2-phenoxyethyl N'-cyclopentylcarbamimidothioate
CID 8775130
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 17489040
2-cycloheptyl-1-[2-(oxan-4-yl)-1-phenylethyl]guanidine;hydroiodide
CID 110027122
2-(4-chlorophenyl)-N-cyclohexyl-1,2-dipyrrolidin-1-ylethanimine
CID 101272729
[cyclopentylsulfanyl(phenyl)methyl]benzene
CID 66910804
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
1-benzhydryl-4-chlorobenzene
CID 13050205
2-cyclohexyl-1-phenylguanidine
CID 10900077
3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-4-cyclopropyl-5-methyl-1,2,4-triazole
CID 17490022
3-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanyl-4-cyclopropyl-5-methyl-1,2,4-triazole
CID 8723210

Frequently Asked Questions

What is the IUPAC name of [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate?
The IUPAC name of [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate (CID 8775139) is [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate.
What is the SMILES notation for [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate?
The canonical SMILES for [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate is N/C(=N\C1CCCC1)S[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate?
The InChIKey is KDTHMGJZIYPVNM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClN2S/c20-16-12-10-15(11-13-16)18(14-6-2-1-3-7-14)23-19(21)22-17-8-4-5-9-17/h1-3,6-7,10-13,17-18H,4-5,8-9H2,(H2,21,22)/t18-/m0/s1.
What are the key properties of [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate?
[(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate has a molecular weight of 344.91 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(4-chlorophenyl)-phenylmethyl] N'-cyclopentylcarbamimidothioate is sourced from PubChem (CID 8775139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).