5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine

C12H20N2S — CID 14628034

IUPAC5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1CCC1CCCCC1
InChIInChI=1S/C12H20N2S/c1-9-11(15-12(13)14-9)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,14)
InChIKeyIQVWSYJBKAKURC-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.55
Rot. Bonds3

About 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine

5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 14628034) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID14628034
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1CCC1CCCCC1
InChIInChI=1S/C12H20N2S/c1-9-11(15-12(13)14-9)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,14)
InChIKeyIQVWSYJBKAKURC-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine (CID 14628034) is 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is IQVWSYJBKAKURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-11(15-12(13)14-9)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,14).
What are the key properties of 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 14628034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).