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

C19H16N4S — CID 56528659

IUPAC4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)n(Cc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C19H16N4S/c1-14-20-18(15-8-4-2-5-9-15)23(22-14)12-17-13-24-19(21-17)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3
InChIKeyBBLPWYJOMGBXDM-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.43
Rot. Bonds4

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

4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole (PubChem CID 56528659) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
PubChem CID56528659
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)n(Cc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C19H16N4S/c1-14-20-18(15-8-4-2-5-9-15)23(22-14)12-17-13-24-19(21-17)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3
InChIKeyBBLPWYJOMGBXDM-UHFFFAOYSA-N
XLogP4.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetic acid
CID 82512631
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 142463610
4-cyclopropyl-5-methyl-2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 39999890
4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 56520960
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole (CID 56528659) is 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)n(Cc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole?
The InChIKey is BBLPWYJOMGBXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-14-20-18(15-8-4-2-5-9-15)23(22-14)12-17-13-24-19(21-17)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3.
What are the key properties of 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole?
4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 332.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 56528659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).