N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine

C12H19ClN2S — CID 104878566

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1ncc(Cl)s1
InChIInChI=1S/C12H19ClN2S/c1-2-9-5-3-4-6-10(9)14-8-12-15-7-11(13)16-12/h7,9-10,14H,2-6,8H2,1H3
InChIKeySFSSWHPBDGQXSJ-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.85
Rot. Bonds4

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 104878566) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID104878566
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1ncc(Cl)s1
InChIInChI=1S/C12H19ClN2S/c1-2-9-5-3-4-6-10(9)14-8-12-15-7-11(13)16-12/h7,9-10,14H,2-6,8H2,1H3
InChIKeySFSSWHPBDGQXSJ-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 104879210
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 104879201
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
2-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 55031515
N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 79979070
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 65246386
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-ethylcyclohexan-1-amine
CID 43709373
2-ethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 62403355
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 104879247

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine (CID 104878566) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is SFSSWHPBDGQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-2-9-5-3-4-6-10(9)14-8-12-15-7-11(13)16-12/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 258.82 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 104878566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).