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

C14H13N3S — CID 162650294

IUPAC2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(-c3ccccc3)n[nH]2)s1
InChIInChI=1S/C14H13N3S/c1-9-14(18-10(2)15-9)13-8-12(16-17-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)
InChIKeyVGQSDDCWNZKYSI-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.82
Rot. Bonds2

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

2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 162650294) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID162650294
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(-c3ccccc3)n[nH]2)s1
InChIInChI=1S/C14H13N3S/c1-9-14(18-10(2)15-9)13-8-12(16-17-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)
InChIKeyVGQSDDCWNZKYSI-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole (CID 162650294) is 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole is Cc1nc(C)c(-c2cc(-c3ccccc3)n[nH]2)s1.
What is the InChIKey of 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is VGQSDDCWNZKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-14(18-10(2)15-9)13-8-12(16-17-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole?
2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 255.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 162650294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).