N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide

C15H12N2O2S2 — CID 104590379

IUPACN-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESO=C(CSc1cccc(O)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S2/c18-10-4-3-5-11(8-10)20-9-14(19)17-15-16-12-6-1-2-7-13(12)21-15/h1-8,18H,9H2,(H,16,17,19)
InChIKeyBIMKGWDFBITWTI-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.73
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide (PubChem CID 104590379) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
PubChem CID104590379
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESO=C(CSc1cccc(O)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S2/c18-10-4-3-5-11(8-10)20-9-14(19)17-15-16-12-6-1-2-7-13(12)21-15/h1-8,18H,9H2,(H,16,17,19)
InChIKeyBIMKGWDFBITWTI-UHFFFAOYSA-N
XLogP3.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18898511
N-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299275
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 7254675
2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2211311
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-naphthalen-1-ylacetamide
CID 9457671
8-[[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785166
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2223582
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
CID 42138966
N-(1,3-benzothiazol-2-yl)-2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136684404

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide (CID 104590379) is N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide is O=C(CSc1cccc(O)c1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The InChIKey is BIMKGWDFBITWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-10-4-3-5-11(8-10)20-9-14(19)17-15-16-12-6-1-2-7-13(12)21-15/h1-8,18H,9H2,(H,16,17,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide has a molecular weight of 316.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 104590379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).