2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine

C10H15ClN2S — CID 47151315

IUPAC2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine
SMILESCC1CCCCC1Nc1csc(Cl)n1
InChIInChI=1S/C10H15ClN2S/c1-7-4-2-3-5-8(7)12-9-6-14-10(11)13-9/h6-8,12H,2-5H2,1H3
InChIKeyWPUIJPGWZHMUAG-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.79
Rot. Bonds2

About 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine

2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine (PubChem CID 47151315) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine
PubChem CID47151315
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine
SMILESCC1CCCCC1Nc1csc(Cl)n1
InChIInChI=1S/C10H15ClN2S/c1-7-4-2-3-5-8(7)12-9-6-14-10(11)13-9/h6-8,12H,2-5H2,1H3
InChIKeyWPUIJPGWZHMUAG-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine (CID 47151315) is 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine is CC1CCCCC1Nc1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine?
The InChIKey is WPUIJPGWZHMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-7-4-2-3-5-8(7)12-9-6-14-10(11)13-9/h6-8,12H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine?
2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine has a molecular weight of 230.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylcyclohexyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 47151315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).