5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide

C19H21N3O2S — CID 70777797

IUPAC5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC1CCCc3sc(C)nc31)n2C
InChIInChI=1S/C19H21N3O2S/c1-11-20-18-14(5-4-6-17(18)25-11)21-19(23)16-10-12-9-13(24-3)7-8-15(12)22(16)2/h7-10,14H,4-6H2,1-3H3,(H,21,23)
InChIKeyAPIOZPHSYPYSTR-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.76
Rot. Bonds3

About 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide

5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide (PubChem CID 70777797) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide
PubChem CID70777797
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC1CCCc3sc(C)nc31)n2C
InChIInChI=1S/C19H21N3O2S/c1-11-20-18-14(5-4-6-17(18)25-11)21-19(23)16-10-12-9-13(24-3)7-8-15(12)22(16)2/h7-10,14H,4-6H2,1-3H3,(H,21,23)
InChIKeyAPIOZPHSYPYSTR-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide (CID 70777797) is 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NC1CCCc3sc(C)nc31)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide?
The InChIKey is APIOZPHSYPYSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-20-18-14(5-4-6-17(18)25-11)21-19(23)16-10-12-9-13(24-3)7-8-15(12)22(16)2/h7-10,14H,4-6H2,1-3H3,(H,21,23).
What are the key properties of 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide?
5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide is sourced from PubChem (CID 70777797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).