4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine

C10H8BrClN2S — CID 91597758

IUPAC4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(Cl)cc2Br)cs1
InChIInChI=1S/C10H8BrClN2S/c11-9-4-7(12)2-1-6(9)3-8-5-15-10(13)14-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyIOGMKQAKVJPSMS-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.73
Rot. Bonds2

About 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine

4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 91597758) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID91597758
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(Cl)cc2Br)cs1
InChIInChI=1S/C10H8BrClN2S/c11-9-4-7(12)2-1-6(9)3-8-5-15-10(13)14-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyIOGMKQAKVJPSMS-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Bromophenyl)-1,3-thiazol-2-amine
CID 661954
4-(1-(4-Chlorophenyl)cyclopentyl)thiazol-2-amine
CID 11550876
5-Bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 12948090
n-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]guanidine
CID 3785911
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 19057171
4-[(2,4-Dichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 40162106
N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 162647368
4-[(4-Bromophenyl)methyl]-1,3-thiazol-2-amine
CID 43260411
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine
CID 2730236
4-[(2-Bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
CID 90961394
4-[(2-Bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 90980213

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 91597758) is 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2ccc(Cl)cc2Br)cs1.
What is the InChIKey of 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is IOGMKQAKVJPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c11-9-4-7(12)2-1-6(9)3-8-5-15-10(13)14-8/h1-2,4-5H,3H2,(H2,13,14).
What are the key properties of 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 303.61 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91597758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).