1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine

C16H10Cl2N4S2 — CID 1474409

IUPAC1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
SMILESNc1c(-c2cccs2)cnn1-c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H10Cl2N4S2/c17-9-3-4-10(12(18)6-9)13-8-24-16(21-13)22-15(19)11(7-20-22)14-2-1-5-23-14/h1-8H,19H2
InChIKeyZIGIMICLZAQPOQ-UHFFFAOYSA-N
MW393.32 g/mol
LogP5.61
Rot. Bonds3

About 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine

1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 1474409) has the molecular formula C16H10Cl2N4S2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
PubChem CID1474409
Molecular FormulaC16H10Cl2N4S2
Molecular Weight393.32 g/mol
Exact Mass391.97
IUPAC Name1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine
SMILESNc1c(-c2cccs2)cnn1-c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H10Cl2N4S2/c17-9-3-4-10(12(18)6-9)13-8-24-16(21-13)22-15(19)11(7-20-22)14-2-1-5-23-14/h1-8H,19H2
InChIKeyZIGIMICLZAQPOQ-UHFFFAOYSA-N
XLogP5.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474408
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine
CID 2805415
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
4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189479
4-(4-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189480
4-(2-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189481
4-(2,4-dichlorophenyl)-N-[(E)-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-1,3-thiazol-2-amine
CID 136002532
4-(2,4-dichlorophenyl)-N-[(E)-[5-(4-methylsulfanylphenyl)-1H-pyrazol-4-yl]methylideneamino]-1,3-thiazol-2-amine
CID 136203811
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-(4-methylphenyl)-
CID 1498377
4-(4-chlorophenyl)-2-[3-(thiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole
CID 2717163

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine (CID 1474409) is 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine is Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is ZIGIMICLZAQPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4S2/c17-9-3-4-10(12(18)6-9)13-8-24-16(21-13)22-15(19)11(7-20-22)14-2-1-5-23-14/h1-8H,19H2.
What are the key properties of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine?
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 393.32 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 1474409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).