1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H17ClN2S — CID 112644380

IUPAC1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESClC1CCCCC1CNCc1cncs1
InChIInChI=1S/C11H17ClN2S/c12-11-4-2-1-3-9(11)5-13-6-10-7-14-8-15-10/h7-9,11,13H,1-6H2
InChIKeyHTPAUCVEYYGEKC-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 112644380) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID112644380
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESClC1CCCCC1CNCc1cncs1
InChIInChI=1S/C11H17ClN2S/c12-11-4-2-1-3-9(11)5-13-6-10-7-14-8-15-10/h7-9,11,13H,1-6H2
InChIKeyHTPAUCVEYYGEKC-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.03
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

1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
CID 112645572
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 102878907
N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
CID 104811205
N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
CID 112645590
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
1-(2-chlorocyclohexyl)-N-[(2,5-dichlorophenyl)methyl]methanamine
CID 65318503
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 112644380) is 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is ClC1CCCCC1CNCc1cncs1.
What is the InChIKey of 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is HTPAUCVEYYGEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-11-4-2-1-3-9(11)5-13-6-10-7-14-8-15-10/h7-9,11,13H,1-6H2.
What are the key properties of 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 244.79 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 112644380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).