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

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Related Compounds

N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
CID 95744341
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884

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).