3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C14H21N5OS — CID 4842107

IUPAC3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1noc(C)c1CSc1nnc(C2CCCCC2)n1N
InChIInChI=1S/C14H21N5OS/c1-9-12(10(2)20-18-9)8-21-14-17-16-13(19(14)15)11-6-4-3-5-7-11/h11H,3-8,15H2,1-2H3
InChIKeyASRRIJNEWISGAB-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.94
Rot. Bonds4

About 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 4842107) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID4842107
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1noc(C)c1CSc1nnc(C2CCCCC2)n1N
InChIInChI=1S/C14H21N5OS/c1-9-12(10(2)20-18-9)8-21-14-17-16-13(19(14)15)11-6-4-3-5-7-11/h11H,3-8,15H2,1-2H3
InChIKeyASRRIJNEWISGAB-UHFFFAOYSA-N
XLogP2.94
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 47096178
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
CID 35355746
4-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 84603573
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315673
3-(4-tert-butylphenyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8892315
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313190
3-cyclohexyl-5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 30764036
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
3-[(3-chlorophenyl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
CID 7710477
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 937719
4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 2111850
3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-5-cyclohexyl-1,2,4-triazol-4-amine
CID 16556286

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 4842107) is 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Cc1noc(C)c1CSc1nnc(C2CCCCC2)n1N.
What is the InChIKey of 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is ASRRIJNEWISGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9-12(10(2)20-18-9)8-21-14-17-16-13(19(14)15)11-6-4-3-5-7-11/h11H,3-8,15H2,1-2H3.
What are the key properties of 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 307.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 4842107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).