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

C11H17ClN2S — CID 83152530

IUPAC4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCCCC1CNc1nc(Cl)cs1
InChIInChI=1S/C11H17ClN2S/c1-8-4-2-3-5-9(8)6-13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyWVXNQFPWDMDDRF-UHFFFAOYSA-N
MW244.79 g/mol
LogP4.03
Rot. Bonds3

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

4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine (PubChem CID 83152530) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
PubChem CID83152530
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCCCC1CNc1nc(Cl)cs1
InChIInChI=1S/C11H17ClN2S/c1-8-4-2-3-5-9(8)6-13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyWVXNQFPWDMDDRF-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 83153384
4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
ethyl 3-[2-[(2-methylcyclohexyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486514
N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine
CID 130582361
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 64911049
4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 83153628
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002
1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992568
4-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazol-2-amine
CID 83152057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine (CID 83152530) is 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine is CC1CCCCC1CNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WVXNQFPWDMDDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-8-4-2-3-5-9(8)6-13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 244.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83152530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).