2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide

C14H19ClN2S — CID 62496318

IUPAC2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1NCCC1CCCC1
InChIInChI=1S/C14H19ClN2S/c15-11-6-3-7-12(13(11)14(16)18)17-9-8-10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2,(H2,16,18)
InChIKeyARPLBMYBKRVWKF-UHFFFAOYSA-N
MW282.84 g/mol
LogP3.97
Rot. Bonds5

About 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide

2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide (PubChem CID 62496318) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide
PubChem CID62496318
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC Name2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1NCCC1CCCC1
InChIInChI=1S/C14H19ClN2S/c15-11-6-3-7-12(13(11)14(16)18)17-9-8-10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2,(H2,16,18)
InChIKeyARPLBMYBKRVWKF-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515843
2-chloro-6-(thian-2-ylmethylamino)benzenecarbothioamide
CID 80601293
2-(2-carbamothioyl-3-chloroanilino)ethyl carbamate
CID 83204135
2-chloro-6-(3-phenylpropylamino)benzenecarbothioamide
CID 62495977
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenecarbothioamide
CID 63828669
2-chloro-6-[(3-ethylcyclohexyl)amino]benzenecarbothioamide
CID 64750192
2-chloro-6-[(2-chlorophenyl)methylamino]benzenecarbothioamide
CID 62500756
2-chloro-6-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62501763
2-chloro-6-(5-methylhexylamino)benzenecarbothioamide
CID 113287503
2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide
CID 62501596
2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
CID 62497704
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide?
The IUPAC name of 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide (CID 62496318) is 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide is NC(=S)c1c(Cl)cccc1NCCC1CCCC1.
What is the InChIKey of 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide?
The InChIKey is ARPLBMYBKRVWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c15-11-6-3-7-12(13(11)14(16)18)17-9-8-10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2,(H2,16,18).
What are the key properties of 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide?
2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide has a molecular weight of 282.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide is sourced from PubChem (CID 62496318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).