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

C10H15ClN2S — CID 130804866

IUPAC5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCC1CCCC(Nc2ncc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2S/c1-7-3-2-4-8(5-7)13-10-12-6-9(11)14-10/h6-8H,2-5H2,1H3,(H,12,13)
InChIKeyPFMZEXRTCSTHBQ-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.79
Rot. Bonds2

About 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine

5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 130804866) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID130804866
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCC1CCCC(Nc2ncc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2S/c1-7-3-2-4-8(5-7)13-10-12-6-9(11)14-10/h6-8H,2-5H2,1H3,(H,12,13)
InChIKeyPFMZEXRTCSTHBQ-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 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (CID 130804866) is 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is CC1CCCC(Nc2ncc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is PFMZEXRTCSTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-7-3-2-4-8(5-7)13-10-12-6-9(11)14-10/h6-8H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-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 5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130804866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).