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

C16H11N7OS — CID 4880352

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11N7OS/c24-15(11-4-3-5-12(8-11)23-10-18-21-22-23)20-16-19-14(9-25-16)13-6-1-2-7-17-13/h1-10H,(H,19,20,24)
InChIKeyLBULVQIAQUOMQZ-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.43
Rot. Bonds4

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

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 4880352) has the molecular formula C16H11N7OS and a molecular weight of 349.38 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID4880352
Molecular FormulaC16H11N7OS
Molecular Weight349.38 g/mol
Exact Mass349.07
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11N7OS/c24-15(11-4-3-5-12(8-11)23-10-18-21-22-23)20-16-19-14(9-25-16)13-6-1-2-7-17-13/h1-10H,(H,19,20,24)
InChIKeyLBULVQIAQUOMQZ-UHFFFAOYSA-N
XLogP2.43
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide (CID 4880352) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is LBULVQIAQUOMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7OS/c24-15(11-4-3-5-12(8-11)23-10-18-21-22-23)20-16-19-14(9-25-16)13-6-1-2-7-17-13/h1-10H,(H,19,20,24).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 349.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4880352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).