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

C14H11N7S — CID 122189488

IUPAC4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1
InChIInChI=1S/C14H11N7S/c1-9-3-2-4-10(5-9)12-8-22-14(16-12)21-7-11(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20)
InChIKeyCHMBXISHNYTOKL-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.48
Rot. Bonds3

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

4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122189488) has the molecular formula C14H11N7S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID122189488
Molecular FormulaC14H11N7S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1
InChIInChI=1S/C14H11N7S/c1-9-3-2-4-10(5-9)12-8-22-14(16-12)21-7-11(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20)
InChIKeyCHMBXISHNYTOKL-UHFFFAOYSA-N
XLogP2.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474408
4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189482
US10829492, Example 28
CID 134480295
3-Phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole
CID 2796014
4-(4-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189478
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-(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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 122189488) is 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is Cc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is CHMBXISHNYTOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S/c1-9-3-2-4-10(5-9)12-8-22-14(16-12)21-7-11(6-15-21)13-17-19-20-18-13/h2-8H,1H3,(H,17,18,19,20).
What are the key properties of 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole?
4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 309.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122189488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).