2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole

C11H17NS2 — CID 52890666

IUPAC2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2CCCCC2)n1
InChIInChI=1S/C11H17NS2/c1-9-7-13-11(12-9)14-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyHZBLTPBLUZGBTP-UHFFFAOYSA-N
MW227.40 g/mol
LogP4.12
Rot. Bonds3

About 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole

2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 52890666) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID52890666
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2CCCCC2)n1
InChIInChI=1S/C11H17NS2/c1-9-7-13-11(12-9)14-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyHZBLTPBLUZGBTP-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole (CID 52890666) is 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole is Cc1csc(SCC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is HZBLTPBLUZGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-9-7-13-11(12-9)14-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole?
2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 227.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 52890666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).