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

C12H19BrN2S — CID 79400142

IUPAC4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCC1CCC(N(C)c2nc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2S/c1-3-9-4-6-10(7-5-9)15(2)12-14-11(13)8-16-12/h8-10H,3-7H2,1-2H3
InChIKeyFLEJUZCATCUYQX-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.31
Rot. Bonds3

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

4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 79400142) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID79400142
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCC1CCC(N(C)c2nc(Br)cs2)CC1
InChIInChI=1S/C12H19BrN2S/c1-3-9-4-6-10(7-5-9)15(2)12-14-11(13)8-16-12/h8-10H,3-7H2,1-2H3
InChIKeyFLEJUZCATCUYQX-UHFFFAOYSA-N
XLogP4.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 79398794
4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 79398796

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine (CID 79400142) is 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine is CCC1CCC(N(C)c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FLEJUZCATCUYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-3-9-4-6-10(7-5-9)15(2)12-14-11(13)8-16-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 303.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79400142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).