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

C11H17BrN2S — CID 79398777

IUPAC4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nc(Br)cs1)C1CCCCC1
InChIInChI=1S/C11H17BrN2S/c1-8(9-5-3-2-4-6-9)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyIBGFPTCQDWIWHX-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.29
Rot. Bonds3

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

4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine (PubChem CID 79398777) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine
PubChem CID79398777
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nc(Br)cs1)C1CCCCC1
InChIInChI=1S/C11H17BrN2S/c1-8(9-5-3-2-4-6-9)13-11-14-10(12)7-15-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyIBGFPTCQDWIWHX-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

4-bromo-N-(1-cyclopentylpropyl)-1,3-thiazol-2-amine
CID 130765960
2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid
CID 79399207
N-(4-bromo-1,3-thiazol-2-yl)-1-cyclopentylethane-1,2-diamine
CID 106738202
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 79399978
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571367
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
4-bromo-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 79398911
2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55199408
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
CID 80919360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine (CID 79398777) is 4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine is CC(Nc1nc(Br)cs1)C1CCCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclohexylethyl)-1,3-thiazol-2-amine?
The InChIKey is IBGFPTCQDWIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-8(9-5-3-2-4-6-9)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-(1-cyclohexylethyl)-1,3-thiazol-2-amine?
4-bromo-N-(1-cyclohexylethyl)-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-(1-cyclohexylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).