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

C19H16N6O2S — CID 2470380

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc2C)cc1
InChIInChI=1S/C19H16N6O2S/c1-12-17(13-5-9-16(27-2)10-6-13)21-19(28-12)22-18(26)14-3-7-15(8-4-14)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26)
InChIKeyRUEWBNJGSRCGQJ-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.36
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 2470380) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID2470380
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc2C)cc1
InChIInChI=1S/C19H16N6O2S/c1-12-17(13-5-9-16(27-2)10-6-13)21-19(28-12)22-18(26)14-3-7-15(8-4-14)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26)
InChIKeyRUEWBNJGSRCGQJ-UHFFFAOYSA-N
XLogP3.36
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (CID 2470380) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is COc1ccc(-c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is RUEWBNJGSRCGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-12-17(13-5-9-16(27-2)10-6-13)21-19(28-12)22-18(26)14-3-7-15(8-4-14)25-11-20-23-24-25/h3-11H,1-2H3,(H,21,22,26).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 2470380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).