2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

C17H14ClN3O2S — CID 126769216

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C17H14ClN3O2S/c18-10-4-5-11-9(8-19-13(11)7-10)6-15(23)21-17-20-12-2-1-3-14(22)16(12)24-17/h4-5,7-8,19H,1-3,6H2,(H,20,21,23)
InChIKeyLSBGRWALARIOOX-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.98
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (PubChem CID 126769216) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
PubChem CID126769216
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C17H14ClN3O2S/c18-10-4-5-11-9(8-19-13(11)7-10)6-15(23)21-17-20-12-2-1-3-14(22)16(12)24-17/h4-5,7-8,19H,1-3,6H2,(H,20,21,23)
InChIKeyLSBGRWALARIOOX-UHFFFAOYSA-N
XLogP3.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (CID 126769216) is 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LSBGRWALARIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-10-4-5-11-9(8-19-13(11)7-10)6-15(23)21-17-20-12-2-1-3-14(22)16(12)24-17/h4-5,7-8,19H,1-3,6H2,(H,20,21,23).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 359.84 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 126769216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).