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

C16H11N7OS — CID 4880417

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H11N7OS/c24-15(11-5-1-2-7-14(11)23-10-18-21-22-23)20-16-19-13(9-25-16)12-6-3-4-8-17-12/h1-10H,(H,19,20,24)
InChIKeyIQPWJPPZXNWEIA-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.43
Rot. Bonds4

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

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 4880417) 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)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID4880417
Molecular FormulaC16H11N7OS
Molecular Weight349.38 g/mol
Exact Mass349.07
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H11N7OS/c24-15(11-5-1-2-7-14(11)23-10-18-21-22-23)20-16-19-13(9-25-16)12-6-3-4-8-17-12/h1-10H,(H,19,20,24)
InChIKeyIQPWJPPZXNWEIA-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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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 5048792
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
4-acetamido-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2460890
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
2-(methylsulfanyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2526359
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416
N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 2660429

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide (CID 4880417) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is IQPWJPPZXNWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7OS/c24-15(11-5-1-2-7-14(11)23-10-18-21-22-23)20-16-19-13(9-25-16)12-6-3-4-8-17-12/h1-10H,(H,19,20,24).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(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)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4880417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).