4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole

C13H11N3S — CID 1480004

IUPAC4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccn[nH]1
InChIInChI=1S/C13H11N3S/c1-9-12(11-7-8-14-16-11)17-13(15-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)
InChIKeyZJOINCNMDWTFIA-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.51
Rot. Bonds2

About 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole

4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 1480004) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID1480004
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccn[nH]1
InChIInChI=1S/C13H11N3S/c1-9-12(11-7-8-14-16-11)17-13(15-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)
InChIKeyZJOINCNMDWTFIA-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (CID 1480004) is 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is Cc1nc(-c2ccccc2)sc1-c1ccn[nH]1.
What is the InChIKey of 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is ZJOINCNMDWTFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-12(11-7-8-14-16-11)17-13(15-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16).
What are the key properties of 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 241.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 1480004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).