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

C18H12Cl2N4S — CID 3057627

IUPAC3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H12Cl2N4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2
InChIKeySCGGUFVVJWQGPP-UHFFFAOYSA-N
MW387.30 g/mol
LogP5.55
Rot. Bonds3

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

3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (PubChem CID 3057627) has the molecular formula C18H12Cl2N4S and a molecular weight of 387.30 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
PubChem CID3057627
Molecular FormulaC18H12Cl2N4S
Molecular Weight387.30 g/mol
Exact Mass386.02
IUPAC Name3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H12Cl2N4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2
InChIKeySCGGUFVVJWQGPP-UHFFFAOYSA-N
XLogP5.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 715964
Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-phenyl-
CID 388615
4-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 829964
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474409
4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 1498249
4-(4-chlorophenyl)-N-[(E)-1-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]ethylideneamino]-1,3-thiazol-2-amine
CID 162669501
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine
CID 2805415
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, 1-(4-(4-bromophenyl)-2-thiazolyl)-3-(4-chlorophenyl)-
CID 1498367
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-phenyl-
CID 1498382
4-(3,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 3303878

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine (CID 3057627) is 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
The InChIKey is SCGGUFVVJWQGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2.
What are the key properties of 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine?
3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine has a molecular weight of 387.30 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrazol-5-amine is sourced from PubChem (CID 3057627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).