1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea

C14H19N3OS — CID 61122216

IUPAC1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2(C(N)=S)CCCC2)c1
InChIInChI=1S/C14H19N3OS/c1-10-5-4-6-11(9-10)16-13(18)17-14(12(15)19)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H2,15,19)(H2,16,17,18)
InChIKeyGCEHUOFFBNFUQF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.72
Rot. Bonds3

About 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea

1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea (PubChem CID 61122216) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
PubChem CID61122216
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2(C(N)=S)CCCC2)c1
InChIInChI=1S/C14H19N3OS/c1-10-5-4-6-11(9-10)16-13(18)17-14(12(15)19)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H2,15,19)(H2,16,17,18)
InChIKeyGCEHUOFFBNFUQF-UHFFFAOYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
CID 62388197
1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
CID 61123946
1-(1-carbamothioyl-4-methylcyclohexyl)-3-(3-fluorophenyl)urea
CID 61123022
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508
4-methyl-1-[(3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 43341722
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
2-(3-methylanilino)-2-sulfanylideneacetamide
CID 17385629
1-(1-carbamothioylcyclopentyl)-3-(2-fluorophenyl)urea
CID 61122214
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946

Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea (CID 61122216) is 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC2(C(N)=S)CCCC2)c1.
What is the InChIKey of 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea?
The InChIKey is GCEHUOFFBNFUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-5-4-6-11(9-10)16-13(18)17-14(12(15)19)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H2,15,19)(H2,16,17,18).
What are the key properties of 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea?
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea has a molecular weight of 277.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 61122216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).