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

C11H10N6OS — CID 862161

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H10N6OS/c18-10(14-11-12-4-5-19-11)8-2-1-3-9(6-8)17-7-13-15-16-17/h1-3,6-7H,4-5H2,(H,12,14,18)
InChIKeyMJFNSSWUTPMIPE-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.49
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 862161) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID862161
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H10N6OS/c18-10(14-11-12-4-5-19-11)8-2-1-3-9(6-8)17-7-13-15-16-17/h1-3,6-7H,4-5H2,(H,12,14,18)
InChIKeyMJFNSSWUTPMIPE-UHFFFAOYSA-N
XLogP0.49
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide (CID 862161) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide is O=C(NC1=NCCS1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is MJFNSSWUTPMIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS/c18-10(14-11-12-4-5-19-11)8-2-1-3-9(6-8)17-7-13-15-16-17/h1-3,6-7H,4-5H2,(H,12,14,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 274.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 862161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).