4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole

C13H8ClN7S — CID 122189479

IUPAC4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESClc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1
InChIInChI=1S/C13H8ClN7S/c14-10-3-1-2-8(4-10)11-7-22-13(16-11)21-6-9(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyUINVFBBOWHKINX-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.83
Rot. Bonds3

About 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole

4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122189479) has the molecular formula C13H8ClN7S and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122189479
Molecular FormulaC13H8ClN7S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESClc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1
InChIInChI=1S/C13H8ClN7S/c14-10-3-1-2-8(4-10)11-7-22-13(16-11)21-6-9(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20)
InChIKeyUINVFBBOWHKINX-UHFFFAOYSA-N
XLogP2.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
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-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189482
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-amine
CID 2805415
4-(4-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189478
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-(3-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189483
4-(2-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189484
4-(4-nitrophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189485
4-(3-nitrophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189486

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 122189479) is 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is Clc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is UINVFBBOWHKINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN7S/c14-10-3-1-2-8(4-10)11-7-22-13(16-11)21-6-9(5-15-21)12-17-19-20-18-12/h1-7H,(H,17,18,19,20).
What are the key properties of 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 329.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122189479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).