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

C10H15ClN2S — CID 47357637

IUPAC2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine
SMILESCC1CCCC(Nc2csc(Cl)n2)C1
InChIInChI=1S/C10H15ClN2S/c1-7-3-2-4-8(5-7)12-9-6-14-10(11)13-9/h6-8,12H,2-5H2,1H3
InChIKeyBCCMEGXKDIMBLD-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.79
Rot. Bonds2

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

2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine (PubChem CID 47357637) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine
PubChem CID47357637
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine
SMILESCC1CCCC(Nc2csc(Cl)n2)C1
InChIInChI=1S/C10H15ClN2S/c1-7-3-2-4-8(5-7)12-9-6-14-10(11)13-9/h6-8,12H,2-5H2,1H3
InChIKeyBCCMEGXKDIMBLD-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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Related Compounds

CID 129795213
CID 129795213
CID 127004580
CID 127004580
CID 117830685
CID 117830685
CID 141979057
CID 141979057
CID 153731607
CID 153731607
CID 47137464
CID 47137464
CID 47137503
CID 47137503
CID 47137517
CID 47137517
CID 47151315
CID 47151315
CID 47151324
CID 47151324
CID 79398777
CID 79398777
CID 79398900
CID 79398900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine (CID 47357637) is 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine is CC1CCCC(Nc2csc(Cl)n2)C1.
What is the InChIKey of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine?
The InChIKey is BCCMEGXKDIMBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-7-3-2-4-8(5-7)12-9-6-14-10(11)13-9/h6-8,12H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-4-amine?
2-chloro-N-(3-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-(3-methylcyclohexyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 47357637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).