1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C14H25N5OS — CID 6489572

IUPAC1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCSc1nnc(CCNC(=O)NC2CCCCC2)n1C
InChIInChI=1S/C14H25N5OS/c1-3-21-14-18-17-12(19(14)2)9-10-15-13(20)16-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H2,15,16,20)
InChIKeyYFKAMDZPFHPPAY-UHFFFAOYSA-N
MW311.46 g/mol
LogP2.10
Rot. Bonds6

About 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 6489572) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID6489572
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCSc1nnc(CCNC(=O)NC2CCCCC2)n1C
InChIInChI=1S/C14H25N5OS/c1-3-21-14-18-17-12(19(14)2)9-10-15-13(20)16-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H2,15,16,20)
InChIKeyYFKAMDZPFHPPAY-UHFFFAOYSA-N
XLogP2.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-[(5-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 2988768
1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea
CID 110203840
ethyl 2-[5-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate
CID 9387498
1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 110776107
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 55206580
N-[2-[4-methyl-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide
CID 25291709
4-chloro-N-[2-[5-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 17019400
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
2,4-dichloro-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126339401
1-cyclopentyl-3-propylurea
CID 14343339
N-cycloheptyl-2-[[5-[(4-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17268325
N-[2-[5-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 35518548

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 6489572) is 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CCSc1nnc(CCNC(=O)NC2CCCCC2)n1C.
What is the InChIKey of 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is YFKAMDZPFHPPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-3-21-14-18-17-12(19(14)2)9-10-15-13(20)16-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 311.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 6489572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).