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

C11H17BrN2S — CID 79400264

IUPAC4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCC1CCC(N(C)c2nc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-8-3-5-9(6-4-8)14(2)11-13-10(12)7-15-11/h7-9H,3-6H2,1-2H3
InChIKeyHWDLPLSBTIOIBV-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.92
Rot. Bonds2

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

4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 79400264) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID79400264
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCC1CCC(N(C)c2nc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-8-3-5-9(6-4-8)14(2)11-13-10(12)7-15-11/h7-9H,3-6H2,1-2H3
InChIKeyHWDLPLSBTIOIBV-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 20647124
4-Bromo-2-(4-methylpiperidin-1-YL)thiazole
CID 45787528
4-bromo-2-[(2S)-2-propylpiperidin-1-yl]-1,3-thiazole
CID 173894324
4-Bromo-2-(3-methylpiperidino)thiazole
CID 45787540
4-Bromo-2-(2-methylpiperidino)thiazole
CID 45787541
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 79398681
2-[1-(4-Bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
CID 79398685
4-Bromo-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazole
CID 79398686
4-Bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole
CID 79398696
4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine
CID 79398777
4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine
CID 79398780
4-Bromo-2-(4-ethylpiperidin-1-yl)-1,3-thiazole
CID 79398786

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine (CID 79400264) is 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine is CC1CCC(N(C)c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is HWDLPLSBTIOIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-8-3-5-9(6-4-8)14(2)11-13-10(12)7-15-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 289.24 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).