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

C19H15N7O2S — CID 4856401

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1
InChIInChI=1S/C19H15N7O2S/c1-12(27)21-15-6-2-13(3-7-15)17-10-29-19(22-17)23-18(28)14-4-8-16(9-5-14)26-11-20-24-25-26/h2-11H,1H3,(H,21,27)(H,22,23,28)
InChIKeyPCXVTWJZUCPJCW-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.00
Rot. Bonds5

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 4856401) has the molecular formula C19H15N7O2S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID4856401
Molecular FormulaC19H15N7O2S
Molecular Weight405.44 g/mol
Exact Mass405.10
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1
InChIInChI=1S/C19H15N7O2S/c1-12(27)21-15-6-2-13(3-7-15)17-10-29-19(22-17)23-18(28)14-4-8-16(9-5-14)26-11-20-24-25-26/h2-11H,1H3,(H,21,27)(H,22,23,28)
InChIKeyPCXVTWJZUCPJCW-UHFFFAOYSA-N
XLogP3.00
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (CID 4856401) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is PCXVTWJZUCPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O2S/c1-12(27)21-15-6-2-13(3-7-15)17-10-29-19(22-17)23-18(28)14-4-8-16(9-5-14)26-11-20-24-25-26/h2-11H,1H3,(H,21,27)(H,22,23,28).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 405.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4856401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).