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

C11H17BrN2S — CID 79400017

IUPAC4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCC1CCCC(Nc2nc(Br)cs2)C1
InChIInChI=1S/C11H17BrN2S/c1-2-8-4-3-5-9(6-8)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyJWIWGMOMHSIMRX-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.29
Rot. Bonds3

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

4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 79400017) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID79400017
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCC1CCCC(Nc2nc(Br)cs2)C1
InChIInChI=1S/C11H17BrN2S/c1-2-8-4-3-5-9(6-8)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyJWIWGMOMHSIMRX-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 79400195
N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine
CID 164659044
4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 79399978
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64742040
2-N-(3-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 64748026
5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 64742832
4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 64744122
4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine
CID 130765960
4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
CID 65435528
methyl 2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80572945
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 79032529
N-(3-ethylcyclohexyl)-6-methoxypyridin-2-amine
CID 64742812

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine (CID 79400017) is 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine is CCC1CCCC(Nc2nc(Br)cs2)C1.
What is the InChIKey of 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is JWIWGMOMHSIMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-2-8-4-3-5-9(6-8)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine?
4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 289.24 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).