3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C18H17N3O2S2 — CID 17494109

IUPAC3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2s1
InChIInChI=1S/C18H17N3O2S2/c1-9-15-12(4-3-5-13(15)22)20-16(9)17(23)19-10-6-7-11-14(8-10)25-18(21-11)24-2/h6-8,20H,3-5H2,1-2H3,(H,19,23)
InChIKeyRQSYFLUIGAKXGU-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.43
Rot. Bonds3

About 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 17494109) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID17494109
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2s1
InChIInChI=1S/C18H17N3O2S2/c1-9-15-12(4-3-5-13(15)22)20-16(9)17(23)19-10-6-7-11-14(8-10)25-18(21-11)24-2/h6-8,20H,3-5H2,1-2H3,(H,19,23)
InChIKeyRQSYFLUIGAKXGU-UHFFFAOYSA-N
XLogP4.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 17494109) is 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CSc1nc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2s1.
What is the InChIKey of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is RQSYFLUIGAKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-9-15-12(4-3-5-13(15)22)20-16(9)17(23)19-10-6-7-11-14(8-10)25-18(21-11)24-2/h6-8,20H,3-5H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 17494109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).