1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea

C16H25N3OS2 — CID 141119422

IUPAC1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea
SMILESCC1CCC(N(C(=O)Nc2ncc(S)s2)C2CCCC2)CC1
InChIInChI=1S/C16H25N3OS2/c1-11-6-8-13(9-7-11)19(12-4-2-3-5-12)16(20)18-15-17-10-14(21)22-15/h10-13,21H,2-9H2,1H3,(H,17,18,20)
InChIKeyNPUMSQOTRODQOO-UHFFFAOYSA-N
MW339.53 g/mol
LogP4.79
Rot. Bonds3

About 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea

1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea (PubChem CID 141119422) has the molecular formula C16H25N3OS2 and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea
PubChem CID141119422
Molecular FormulaC16H25N3OS2
Molecular Weight339.53 g/mol
Exact Mass339.14
IUPAC Name1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea
SMILESCC1CCC(N(C(=O)Nc2ncc(S)s2)C2CCCC2)CC1
InChIInChI=1S/C16H25N3OS2/c1-11-6-8-13(9-7-11)19(12-4-2-3-5-12)16(20)18-15-17-10-14(21)22-15/h10-13,21H,2-9H2,1H3,(H,17,18,20)
InChIKeyNPUMSQOTRODQOO-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazole-5-sulfonic acid
CID 87416992
3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
CID 87412605
CID 87412605
4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 87412592
methyl N-[2-[[2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]ethyl]carbamate
CID 87185916
methyl N-[2-[[2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]ethyl]carbamate;hydrochloride
CID 173026501
ethyl 3-[[2-[[cyclobutyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoate
CID 87186052
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea
CID 11772353
1,1-dicyclohexyl-3-(5-pentylsulfanyl-1,3-thiazol-2-yl)urea
CID 87192872
1-(1-acetylpiperidin-4-yl)-3-[5-(3,4-dihydro-2H-pyrrol-5-ylmethylsulfanyl)-1,3-thiazol-2-yl]-1-(4-methylcyclohexyl)urea
CID 58183147
tert-butyl 4-[2-(dicyclohexylcarbamoylamino)-1,3-thiazol-5-yl]butanoate
CID 58183155
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1-propylsulfinylpiperidin-4-yl)urea
CID 143391330

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea (CID 141119422) is 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea is CC1CCC(N(C(=O)Nc2ncc(S)s2)C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea?
The InChIKey is NPUMSQOTRODQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS2/c1-11-6-8-13(9-7-11)19(12-4-2-3-5-12)16(20)18-15-17-10-14(21)22-15/h10-13,21H,2-9H2,1H3,(H,17,18,20).
What are the key properties of 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea?
1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea has a molecular weight of 339.53 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 141119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).