2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C16H14N6S — CID 90890474

IUPAC2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn(C)cc1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C16H14N6S/c1-10-12(8-22(2)21-10)16-19-13(11-6-4-3-5-7-11)14(23-16)15-17-9-18-20-15/h3-9H,1-2H3,(H,17,18,20)
InChIKeyDGBPMYVZZJSJFL-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.30
Rot. Bonds3

About 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 90890474) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID90890474
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn(C)cc1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C16H14N6S/c1-10-12(8-22(2)21-10)16-19-13(11-6-4-3-5-7-11)14(23-16)15-17-9-18-20-15/h3-9H,1-2H3,(H,17,18,20)
InChIKeyDGBPMYVZZJSJFL-UHFFFAOYSA-N
XLogP3.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865753
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865190
4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865751
[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 58095101
2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 46865517
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]morpholine
CID 58095208
4-(3-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865294
1-N-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]propane-1,2-diamine
CID 123613460
1-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]pyrrolidin-3-amine
CID 76665796
4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-5-carboxamide;4-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 159965256
acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 66855389
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 58095010

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 90890474) is 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn(C)cc1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is DGBPMYVZZJSJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-10-12(8-22(2)21-10)16-19-13(11-6-4-3-5-7-11)14(23-16)15-17-9-18-20-15/h3-9H,1-2H3,(H,17,18,20).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 322.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 90890474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).