5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole

C15H15N3S — CID 162648415

IUPAC5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(Cc3ccccc3)[nH]n2)s1
InChIInChI=1S/C15H15N3S/c1-10-15(19-11(2)16-10)14-9-13(17-18-14)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyITJVCAWVSYYPSF-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.74
Rot. Bonds3

About 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole

5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole (PubChem CID 162648415) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
PubChem CID162648415
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(Cc3ccccc3)[nH]n2)s1
InChIInChI=1S/C15H15N3S/c1-10-15(19-11(2)16-10)14-9-13(17-18-14)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyITJVCAWVSYYPSF-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
2,4-Dimethyl-5-{3-[(1r)-1-Phenylethyl]-1h-Pyrazol-5-Yl}-1,3-Thiazole
CID 121595982
4-Methyl-5-[3-(Methylsulfanyl)-1h-Pyrazol-5-Yl]-2-Thiophen-2-Yl-1,3-Thiazole
CID 2744426
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
2,4-Dimethyl-5-[3-(2-Phenylpropan-2-Yl)-1h-Pyrazol-5-Yl]-1,3-Thiazole
CID 121595983
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
5-(2,4-dimethylthiazol-5-yl)-1H-indazol-3-amine
CID 44570389
2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162656746
2,4-dimethyl-5-[5-(1-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162657792
4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 45588555
5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 46889101

Frequently Asked Questions

What is the IUPAC name of 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole (CID 162648415) is 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2cc(Cc3ccccc3)[nH]n2)s1.
What is the InChIKey of 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is ITJVCAWVSYYPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-15(19-11(2)16-10)14-9-13(17-18-14)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole?
5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 269.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 162648415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).