2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole

C19H17N5S — CID 8684946

IUPAC2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
SMILESCCc1ccc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)cc1
InChIInChI=1S/C19H17N5S/c1-2-14-8-10-16(11-9-14)19-20-17(13-25-19)12-24-22-18(21-23-24)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3
InChIKeyONOXELFVGPCMJT-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole

2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole (PubChem CID 8684946) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
PubChem CID8684946
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
SMILESCCc1ccc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)cc1
InChIInChI=1S/C19H17N5S/c1-2-14-8-10-16(11-9-14)19-20-17(13-25-19)12-24-22-18(21-23-24)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3
InChIKeyONOXELFVGPCMJT-UHFFFAOYSA-N
XLogP4.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 35416899
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877
2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 46582916
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
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24629381
2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16611662
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
CID 25311503
4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
CID 56528659
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole (CID 8684946) is 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole is CCc1ccc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole?
The InChIKey is ONOXELFVGPCMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-2-14-8-10-16(11-9-14)19-20-17(13-25-19)12-24-22-18(21-23-24)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole?
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole has a molecular weight of 347.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 8684946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).