N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C18H15N7O2S — CID 55651820

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)Cc3ccc(-n4cnnn4)cc3)sc2c1
InChIInChI=1S/C18H15N7O2S/c1-11(26)20-13-4-7-15-16(9-13)28-18(21-15)22-17(27)8-12-2-5-14(6-3-12)25-10-19-23-24-25/h2-7,9-10H,8H2,1H3,(H,20,26)(H,21,22,27)
InChIKeySECYHRUFQLTGDB-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.41
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55651820) has the molecular formula C18H15N7O2S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55651820
Molecular FormulaC18H15N7O2S
Molecular Weight393.43 g/mol
Exact Mass393.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)Cc3ccc(-n4cnnn4)cc3)sc2c1
InChIInChI=1S/C18H15N7O2S/c1-11(26)20-13-4-7-15-16(9-13)28-18(21-15)22-17(27)8-12-2-5-14(6-3-12)25-10-19-23-24-25/h2-7,9-10H,8H2,1H3,(H,20,26)(H,21,22,27)
InChIKeySECYHRUFQLTGDB-UHFFFAOYSA-N
XLogP2.41
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600412
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 30515096
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600753
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24627882
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78858532
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 25481432

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55651820) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc2nc(NC(=O)Cc3ccc(-n4cnnn4)cc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is SECYHRUFQLTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2S/c1-11(26)20-13-4-7-15-16(9-13)28-18(21-15)22-17(27)8-12-2-5-14(6-3-12)25-10-19-23-24-25/h2-7,9-10H,8H2,1H3,(H,20,26)(H,21,22,27).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 393.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55651820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).