N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide

C18H14N6OS — CID 7465214

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H14N6OS/c25-17(14-6-8-15(9-7-14)24-12-20-22-23-24)21-18-19-11-16(26-18)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,21,25)
InChIKeyBRTYXLOJLLMMSE-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.96
Rot. Bonds5

About N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide

N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 7465214) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID7465214
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H14N6OS/c25-17(14-6-8-15(9-7-14)24-12-20-22-23-24)21-18-19-11-16(26-18)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,21,25)
InChIKeyBRTYXLOJLLMMSE-UHFFFAOYSA-N
XLogP2.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide (CID 7465214) is N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide is O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is BRTYXLOJLLMMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c25-17(14-6-8-15(9-7-14)24-12-20-22-23-24)21-18-19-11-16(26-18)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,19,21,25).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 362.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 7465214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).