1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine

C17H21BrN2S — CID 63526220

IUPAC1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
SMILESCc1sc(C2(N)CCCC(C)C2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2S/c1-11-4-3-9-17(19,10-11)16-20-15(12(2)21-16)13-5-7-14(18)8-6-13/h5-8,11H,3-4,9-10,19H2,1-2H3
InChIKeyICEDFSXDBRYBPX-UHFFFAOYSA-N
MW365.34 g/mol
LogP5.25
Rot. Bonds2

About 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine

1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine (PubChem CID 63526220) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
PubChem CID63526220
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
SMILESCc1sc(C2(N)CCCC(C)C2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2S/c1-11-4-3-9-17(19,10-11)16-20-15(12(2)21-16)13-5-7-14(18)8-6-13/h5-8,11H,3-4,9-10,19H2,1-2H3
InChIKeyICEDFSXDBRYBPX-UHFFFAOYSA-N
XLogP5.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine (CID 63526220) is 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine is Cc1sc(C2(N)CCCC(C)C2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
The InChIKey is ICEDFSXDBRYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-11-4-3-9-17(19,10-11)16-20-15(12(2)21-16)13-5-7-14(18)8-6-13/h5-8,11H,3-4,9-10,19H2,1-2H3.
What are the key properties of 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine?
1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine has a molecular weight of 365.34 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63526220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).