5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

About 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 142089236) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name	5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID	142089236
Molecular Formula	C24H27N5O2S
Molecular Weight	449.58 g/mol
Exact Mass	449.19
IUPAC Name	5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILES	Cc1ccc2[nH]c(C(=O)N[C@H]3CCCC/C3=N\C(=O)c3nc4c(s3)CN(C)CC4)cc2c1
InChI	InChI=1S/C24H27N5O2S/c1-14-7-8-16-15(11-14)12-20(25-16)22(30)26-17-5-3-4-6-18(17)27-23(31)24-28-19-9-10-29(2)13-21(19)32-24/h7-8,11-12,17,25H,3-6,9-10,13H2,1-2H3,(H,26,30)/b27-18+/t17-/m0/s1
InChIKey	OKGQAUSFNUSWQR-MRNPGAJDSA-N
XLogP	3.87
TPSA	90.45 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 142089236) is 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@H]3CCCC/C3=N\C(=O)c3nc4c(s3)CN(C)CC4)cc2c1.

What is the InChIKey of 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is OKGQAUSFNUSWQR-MRNPGAJDSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-14-7-8-16-15(11-14)12-20(25-16)22(30)26-17-5-3-4-6-18(17)27-23(31)24-28-19-9-10-29(2)13-21(19)32-24/h7-8,11-12,17,25H,3-6,9-10,13H2,1-2H3,(H,26,30)/b27-18+/t17-/m0/s1.

What are the key properties of 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 142089236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).