1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine

C18H12BrClN4S — CID 1498367

IUPAC1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H12BrClN4S/c19-13-5-1-12(2-6-13)16-10-25-18(22-16)24-17(21)9-15(23-24)11-3-7-14(20)8-4-11/h1-10H,21H2
InChIKeyPKXPSTIXLXLWCZ-UHFFFAOYSA-N
MW431.75 g/mol
LogP5.66
Rot. Bonds3

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

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine (PubChem CID 1498367) has the molecular formula C18H12BrClN4S and a molecular weight of 431.75 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine
PubChem CID1498367
Molecular FormulaC18H12BrClN4S
Molecular Weight431.75 g/mol
Exact Mass429.97
IUPAC Name1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H12BrClN4S/c19-13-5-1-12(2-6-13)16-10-25-18(22-16)24-17(21)9-15(23-24)11-3-7-14(20)8-4-11/h1-10H,21H2
InChIKeyPKXPSTIXLXLWCZ-UHFFFAOYSA-N
XLogP5.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-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

1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 715964
4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 1498249
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-(4-bromophenyl)-2-thiazolyl)-
CID 100592
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-
CID 986333
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 3057627
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-phenyl-
CID 1498382
2-[(4-bromophenyl)methylsulfanyl]-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 164621032
4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]thiazol-2-amine
CID 11260020
N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)thiazol-2-amine
CID 66572886
Acetamide, N-(3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498350
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-phenyl-2-thiazolyl)-
CID 1498364
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 1498365

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine?
The IUPAC name of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine (CID 1498367) is 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine?
The InChIKey is PKXPSTIXLXLWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4S/c19-13-5-1-12(2-6-13)16-10-25-18(22-16)24-17(21)9-15(23-24)11-3-7-14(20)8-4-11/h1-10H,21H2.
What are the key properties of 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine?
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine has a molecular weight of 431.75 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 1498367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).