N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine

C11H17ClN2S — CID 164659044

IUPACN-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCCC(Cl)C2)n1
InChIInChI=1S/C11H17ClN2S/c1-2-9-7-15-11(13-9)14-10-5-3-4-8(12)6-10/h7-8,10H,2-6H2,1H3,(H,13,14)
InChIKeyICKMNPSIUHLQTL-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.67
Rot. Bonds3

About N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine

N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 164659044) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID164659044
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC2CCCC(Cl)C2)n1
InChIInChI=1S/C11H17ClN2S/c1-2-9-7-15-11(13-9)14-10-5-3-4-8(12)6-10/h7-8,10H,2-6H2,1H3,(H,13,14)
InChIKeyICKMNPSIUHLQTL-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(3-fluorocyclopentyl)-1,3-thiazol-2-amine
CID 130607879
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine
CID 79400017
4-ethyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
CID 62961373
4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 62962634
2-[(4-ethyl-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 62961190
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 106125836
4-(2-aminoethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 28710824
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
4-ethyl-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
CID 64923383
ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
CID 99785660

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine (CID 164659044) is N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC2CCCC(Cl)C2)n1.
What is the InChIKey of N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is ICKMNPSIUHLQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-2-9-7-15-11(13-9)14-10-5-3-4-8(12)6-10/h7-8,10H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine?
N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 244.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 164659044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).