2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide

C12H9N3OS3 — CID 677049

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1nccs1
InChIInChI=1S/C12H9N3OS3/c16-10(15-11-13-5-6-17-11)7-18-12-14-8-3-1-2-4-9(8)19-12/h1-6H,7H2,(H,13,15,16)
InChIKeyAURWHTRSUCBFRC-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.48
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 677049) has the molecular formula C12H9N3OS3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID677049
Molecular FormulaC12H9N3OS3
Molecular Weight307.43 g/mol
Exact Mass306.99
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1nccs1
InChIInChI=1S/C12H9N3OS3/c16-10(15-11-13-5-6-17-11)7-18-12-14-8-3-1-2-4-9(8)19-12/h1-6H,7H2,(H,13,15,16)
InChIKeyAURWHTRSUCBFRC-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzthiazuron
CID 16007
Bentaluron
CID 4408229
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
N-2-Benzothiazolyl-N'-butylurea
CID 99178
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
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
1-(1,3-Benzothiazol-2-yl)-3-propylurea
CID 2130250

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (CID 677049) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2s1)Nc1nccs1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AURWHTRSUCBFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS3/c16-10(15-11-13-5-6-17-11)7-18-12-14-8-3-1-2-4-9(8)19-12/h1-6H,7H2,(H,13,15,16).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 307.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 677049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).