N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine

C11H18N2S — CID 43371575

IUPACN-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCC2CCCCC2)n1
InChIInChI=1S/C11H18N2S/c1-9-8-14-11(13-9)12-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyGWIPWFDFVNFWLI-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.44
Rot. Bonds3

About N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine

N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 43371575) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID43371575
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCC2CCCCC2)n1
InChIInChI=1S/C11H18N2S/c1-9-8-14-11(13-9)12-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyGWIPWFDFVNFWLI-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine (CID 43371575) is N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GWIPWFDFVNFWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-8-14-11(13-9)12-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine?
N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43371575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).