1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine

C17H21BrN2S — CID 63526231

IUPAC1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C17H21BrN2S/c1-2-12-6-8-17(19,9-7-12)16-20-15(11-21-16)13-4-3-5-14(18)10-13/h3-5,10-12H,2,6-9,19H2,1H3
InChIKeyJVHRRQAFQBIFCB-UHFFFAOYSA-N
MW365.34 g/mol
LogP5.33
Rot. Bonds3

About 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine

1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine (PubChem CID 63526231) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
PubChem CID63526231
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C17H21BrN2S/c1-2-12-6-8-17(19,9-7-12)16-20-15(11-21-16)13-4-3-5-14(18)10-13/h3-5,10-12H,2,6-9,19H2,1H3
InChIKeyJVHRRQAFQBIFCB-UHFFFAOYSA-N
XLogP5.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338645
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
CID 63526086
4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62040434
4-(3-bromophenyl)-2-(1-ethylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 1390058
4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116782540
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558286
1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine
CID 61338835
1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61338065
4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116734463
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine (CID 63526231) is 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2nc(-c3cccc(Br)c3)cs2)CC1.
What is the InChIKey of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
The InChIKey is JVHRRQAFQBIFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-2-12-6-8-17(19,9-7-12)16-20-15(11-21-16)13-4-3-5-14(18)10-13/h3-5,10-12H,2,6-9,19H2,1H3.
What are the key properties of 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine?
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine has a molecular weight of 365.34 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 63526231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).