N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide

C14H11N3OS2 — CID 828855

IUPACN-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS2/c18-12(9-19-13-7-3-4-8-15-13)17-14-16-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H,16,17,18)
InChIKeyKNUMHXUXAKPWLY-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.42
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 828855) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID828855
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS2/c18-12(9-19-13-7-3-4-8-15-13)17-14-16-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H,16,17,18)
InChIKeyKNUMHXUXAKPWLY-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
N-[(E)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 9566818
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
1,3-Benzothiazol-2-amine, 6-fluoro-N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 7086352
N-(1,3-benzothiazol-2-yl)-7-sulfanylheptanamide
CID 11346934
1-Phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138107
1-(3-Fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138112
1-Cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138118
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49677967

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide (CID 828855) is N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is KNUMHXUXAKPWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-12(9-19-13-7-3-4-8-15-13)17-14-16-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 301.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 828855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).