2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

C20H18N6OS — CID 8871902

IUPAC2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)cc1C
InChIInChI=1S/C20H18N6OS/c1-12-8-14(3)16(9-13(12)2)17-10-28-20(22-17)23-19(27)15-6-4-5-7-18(15)26-11-21-24-25-26/h4-11H,1-3H3,(H,22,23,27)
InChIKeyAXBBOYQLMYXJQY-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.96
Rot. Bonds4

About 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 8871902) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID8871902
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)cc1C
InChIInChI=1S/C20H18N6OS/c1-12-8-14(3)16(9-13(12)2)17-10-28-20(22-17)23-19(27)15-6-4-5-7-18(15)26-11-21-24-25-26/h4-11H,1-3H3,(H,22,23,27)
InChIKeyAXBBOYQLMYXJQY-UHFFFAOYSA-N
XLogP3.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8801292
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8918224
1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55754361
2-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2442002
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046
2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8871898
6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 8005265
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 17471299

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 8871902) is 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)cc1C.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AXBBOYQLMYXJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-12-8-14(3)16(9-13(12)2)17-10-28-20(22-17)23-19(27)15-6-4-5-7-18(15)26-11-21-24-25-26/h4-11H,1-3H3,(H,22,23,27).
What are the key properties of 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8871902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).