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

C18H13ClN4S — CID 1498382

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H13ClN4S/c19-14-8-6-13(7-9-14)16-11-24-18(21-16)23-17(20)10-15(22-23)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyYNBACVPURPXVHI-UHFFFAOYSA-N
MW352.85 g/mol
LogP4.90
Rot. Bonds3

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

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine (PubChem CID 1498382) has the molecular formula C18H13ClN4S and a molecular weight of 352.85 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine
PubChem CID1498382
Molecular FormulaC18H13ClN4S
Molecular Weight352.85 g/mol
Exact Mass352.05
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H13ClN4S/c19-14-8-6-13(7-9-14)16-11-24-18(21-16)23-17(20)10-15(22-23)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyYNBACVPURPXVHI-UHFFFAOYSA-N
XLogP4.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 54.90
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-(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, 3-(4-chlorophenyl)-1-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 3057627
4-(3,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 3303878
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 49786854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine (CID 1498382) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine?
The InChIKey is YNBACVPURPXVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4S/c19-14-8-6-13(7-9-14)16-11-24-18(21-16)23-17(20)10-15(22-23)12-4-2-1-3-5-12/h1-11H,20H2.
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine has a molecular weight of 352.85 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-amine is sourced from PubChem (CID 1498382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).