3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C20H21N3O2S2 — CID 31685056

IUPAC3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3[nH]c4c(c3C)C(=O)CCC4)s2)cs1
InChIInChI=1S/C20H21N3O2S2/c1-11-18-14(4-3-5-16(18)24)23-19(11)20(25)21-9-8-13-6-7-17(27-13)15-10-26-12(2)22-15/h6-7,10,23H,3-5,8-9H2,1-2H3,(H,21,25)
InChIKeyFPIGFFSQJIJOOA-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.31
Rot. Bonds5

About 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 31685056) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID31685056
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)c3[nH]c4c(c3C)C(=O)CCC4)s2)cs1
InChIInChI=1S/C20H21N3O2S2/c1-11-18-14(4-3-5-16(18)24)23-19(11)20(25)21-9-8-13-6-7-17(27-13)15-10-26-12(2)22-15/h6-7,10,23H,3-5,8-9H2,1-2H3,(H,21,25)
InChIKeyFPIGFFSQJIJOOA-UHFFFAOYSA-N
XLogP4.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.31
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-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 31685056) is 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1nc(-c2ccc(CCNC(=O)c3[nH]c4c(c3C)C(=O)CCC4)s2)cs1.
What is the InChIKey of 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is FPIGFFSQJIJOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-11-18-14(4-3-5-16(18)24)23-19(11)20(25)21-9-8-13-6-7-17(27-13)15-10-26-12(2)22-15/h6-7,10,23H,3-5,8-9H2,1-2H3,(H,21,25).
What are the key properties of 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 31685056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).