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

C19H16N6OS — CID 112762053

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)c(C)c1
InChIInChI=1S/C19H16N6OS/c1-12-7-8-14(13(2)9-12)16-10-27-19(21-16)22-18(26)15-5-3-4-6-17(15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26)
InChIKeyVDLLZOKFEJJODN-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.65
Rot. Bonds4

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

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 112762053) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID112762053
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)c(C)c1
InChIInChI=1S/C19H16N6OS/c1-12-7-8-14(13(2)9-12)16-10-27-19(21-16)22-18(26)15-5-3-4-6-17(15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26)
InChIKeyVDLLZOKFEJJODN-UHFFFAOYSA-N
XLogP3.65
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(tetrazol-1-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8871902
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
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8918224
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
2-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2442002
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide (CID 112762053) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is Cc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is VDLLZOKFEJJODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-7-8-14(13(2)9-12)16-10-27-19(21-16)22-18(26)15-5-3-4-6-17(15)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 112762053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).