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

C17H14N6OS2 — CID 17412222

IUPAC2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSCc1nc2ccccc2s1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H14N6OS2/c24-16(9-25-10-17-20-14-3-1-2-4-15(14)26-17)19-12-5-7-13(8-6-12)23-11-18-21-22-23/h1-8,11H,9-10H2,(H,19,24)
InChIKeyLCMDDVMPCHYFKN-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.14
Rot. Bonds6

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

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 17412222) has the molecular formula C17H14N6OS2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID17412222
Molecular FormulaC17H14N6OS2
Molecular Weight382.47 g/mol
Exact Mass382.07
IUPAC Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CSCc1nc2ccccc2s1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H14N6OS2/c24-16(9-25-10-17-20-14-3-1-2-4-15(14)26-17)19-12-5-7-13(8-6-12)23-11-18-21-22-23/h1-8,11H,9-10H2,(H,19,24)
InChIKeyLCMDDVMPCHYFKN-UHFFFAOYSA-N
XLogP3.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55890681
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18081449
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
(2R)-2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N,4-dimethylpentanamide
CID 51954510
N-[3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708084
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
CID 51144184
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 38810609
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 33499249
3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 30460306
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 17412222) is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CSCc1nc2ccccc2s1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is LCMDDVMPCHYFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS2/c24-16(9-25-10-17-20-14-3-1-2-4-15(14)26-17)19-12-5-7-13(8-6-12)23-11-18-21-22-23/h1-8,11H,9-10H2,(H,19,24).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 17412222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).