4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine

C9H6BrClN2S — CID 84814748

IUPAC4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1-c1cccc(Br)c1
InChIInChI=1S/C9H6BrClN2S/c10-6-3-1-2-5(4-6)7-8(12)14-9(11)13-7/h1-4H,12H2
InChIKeySGAZXVMRMINKFH-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.81
Rot. Bonds1

About 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine

4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine (PubChem CID 84814748) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine
PubChem CID84814748
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1-c1cccc(Br)c1
InChIInChI=1S/C9H6BrClN2S/c10-6-3-1-2-5(4-6)7-8(12)14-9(11)13-7/h1-4H,12H2
InChIKeySGAZXVMRMINKFH-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 159353991
4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 63469685
4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
CID 115504031
2-(3-bromophenyl)-8-chloroimidazo[1,2-a]pyridin-3-amine
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5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile
CID 132588492
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
5-(3-bromophenyl)-2-chloroaniline
CID 115503808
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 79838986

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine (CID 84814748) is 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine is Nc1sc(Cl)nc1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine?
The InChIKey is SGAZXVMRMINKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c10-6-3-1-2-5(4-6)7-8(12)14-9(11)13-7/h1-4H,12H2.
What are the key properties of 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine?
4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine has a molecular weight of 289.59 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine is sourced from PubChem (CID 84814748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).