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

C14H13N3S — CID 162651058

IUPAC2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(Cc2ccccc2)sc1-c1ccn[nH]1
InChIInChI=1S/C14H13N3S/c1-10-14(12-7-8-15-17-12)18-13(16-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyFQBQXRYFBYMHKA-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.43
Rot. Bonds3

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

2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 162651058) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID162651058
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(Cc2ccccc2)sc1-c1ccn[nH]1
InChIInChI=1S/C14H13N3S/c1-10-14(12-7-8-15-17-12)18-13(16-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyFQBQXRYFBYMHKA-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (CID 162651058) is 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is Cc1nc(Cc2ccccc2)sc1-c1ccn[nH]1.
What is the InChIKey of 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is FQBQXRYFBYMHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-14(12-7-8-15-17-12)18-13(16-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 255.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 162651058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).