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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Related Compounds

4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 2805447
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 2768051
4-ethyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1478768
4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 139226873
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
5-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-phenyl-1,3-thiazole
CID 4675031
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
N-(3,4-dimethylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162647646
2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 71563462

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).