4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole

C16H19N5S — CID 56520960

IUPAC4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(Cn3nnnc3C(C)(C)C)cs2)cc1
InChIInChI=1S/C16H19N5S/c1-11-5-7-12(8-6-11)14-17-13(10-22-14)9-21-15(16(2,3)4)18-19-20-21/h5-8,10H,9H2,1-4H3
InChIKeyGLHCVLYXFBVOIZ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.45
Rot. Bonds3

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

4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 56520960) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole
PubChem CID56520960
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(Cn3nnnc3C(C)(C)C)cs2)cc1
InChIInChI=1S/C16H19N5S/c1-11-5-7-12(8-6-11)14-17-13(10-22-14)9-21-15(16(2,3)4)18-19-20-21/h5-8,10H,9H2,1-4H3
InChIKeyGLHCVLYXFBVOIZ-UHFFFAOYSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
2-(furan-3-yl)-4-[(5-propyltetrazol-1-yl)methyl]-1,3-thiazole
CID 75462976
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
CID 56528659
1-[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]triazol-4-yl]ethanamine
CID 114419689
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
CID 75373680

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole (CID 56520960) is 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(Cn3nnnc3C(C)(C)C)cs2)cc1.
What is the InChIKey of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is GLHCVLYXFBVOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-11-5-7-12(8-6-11)14-17-13(10-22-14)9-21-15(16(2,3)4)18-19-20-21/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole?
4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 56520960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).