N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C17H14N6O2S — CID 163314103

IUPACN-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCc1cccc2ncsc12
InChIInChI=1S/C17H14N6O2S/c24-16(18-8-12-2-1-3-15-17(12)26-11-19-15)9-25-14-6-4-13(5-7-14)23-10-20-21-22-23/h1-7,10-11H,8-9H2,(H,18,24)
InChIKeyIVQDOHFRHCKCKH-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.97
Rot. Bonds6

About N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 163314103) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID163314103
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCc1cccc2ncsc12
InChIInChI=1S/C17H14N6O2S/c24-16(18-8-12-2-1-3-15-17(12)26-11-19-15)9-25-14-6-4-13(5-7-14)23-10-20-21-22-23/h1-7,10-11H,8-9H2,(H,18,24)
InChIKeyIVQDOHFRHCKCKH-UHFFFAOYSA-N
XLogP1.97
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053
N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 40769610
N-[(1-propylimidazol-2-yl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 122567228
N-(2,3-dichlorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1135809
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 99981768
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 35271332
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 163314103) is N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccc(-n2cnnn2)cc1)NCc1cccc2ncsc12.
What is the InChIKey of N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is IVQDOHFRHCKCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c24-16(18-8-12-2-1-3-15-17(12)26-11-19-15)9-25-14-6-4-13(5-7-14)23-10-20-21-22-23/h1-7,10-11H,8-9H2,(H,18,24).
What are the key properties of N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 366.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 163314103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).