N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine

C16H19BrN2S — CID 53272842

IUPACN-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
SMILESBrc1ccc(-c2cnc(CNC3CCCCC3)s2)cc1
InChIInChI=1S/C16H19BrN2S/c17-13-8-6-12(7-9-13)15-10-19-16(20-15)11-18-14-4-2-1-3-5-14/h6-10,14,18H,1-5,11H2
InChIKeyPTCMMJWNEOAATL-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.99
Rot. Bonds4

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

N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine (PubChem CID 53272842) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
PubChem CID53272842
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC NameN-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
SMILESBrc1ccc(-c2cnc(CNC3CCCCC3)s2)cc1
InChIInChI=1S/C16H19BrN2S/c17-13-8-6-12(7-9-13)15-10-19-16(20-15)11-18-14-4-2-1-3-5-14/h6-10,14,18H,1-5,11H2
InChIKeyPTCMMJWNEOAATL-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53272742
N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53273092
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine
CID 53272820
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53273401
[5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine
CID 83851616
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272844
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271572

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine (CID 53272842) is N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine is Brc1ccc(-c2cnc(CNC3CCCCC3)s2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
The InChIKey is PTCMMJWNEOAATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c17-13-8-6-12(7-9-13)15-10-19-16(20-15)11-18-14-4-2-1-3-5-14/h6-10,14,18H,1-5,11H2.
What are the key properties of N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine?
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine has a molecular weight of 351.31 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 53272842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).