5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole

C20H17N3S — CID 1476741

IUPAC5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESCc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C20H17N3S/c1-15-7-9-16(10-8-15)14-23-12-11-18(22-23)19-13-21-20(24-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKeySMZNGPNGQZVFPT-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.03
Rot. Bonds4

About 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole

5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 1476741) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID1476741
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESCc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
InChIInChI=1S/C20H17N3S/c1-15-7-9-16(10-8-15)14-23-12-11-18(22-23)19-13-21-20(24-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKeySMZNGPNGQZVFPT-UHFFFAOYSA-N
XLogP5.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2763788
CID 2763788
CID 1480004
CID 1480004
CID 18672225
CID 18672225
CID 1476736
CID 1476736
CID 1476746
CID 1476746
CID 1476747
CID 1476747
CID 1476749
CID 1476749
CID 1482789
CID 1482789
CID 2327977
CID 2327977
CID 2768051
CID 2768051
CID 6089311
CID 6089311
CID 15944745
CID 15944745

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 1476741) is 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole is Cc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1.
What is the InChIKey of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is SMZNGPNGQZVFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-15-7-9-16(10-8-15)14-23-12-11-18(22-23)19-13-21-20(24-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3.
What are the key properties of 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole?
5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 1476741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).