5-methyl-N-[[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexyl]methylidene]-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]cyclohexyl]methylidene]-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]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 163623731) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 5-methyl-N-[[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexyl]methylidene]-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]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID	163623731
Molecular Formula	C25H29N5O2S
Molecular Weight	463.61 g/mol
Exact Mass	463.20
IUPAC Name	5-methyl-N-[[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILES	Cc1ccc2[nH]c(C(=O)N[C@H]3CCCCC3/C=N/C(=O)c3nc4c(s3)CN(C)CC4)cc2c1
InChI	InChI=1S/C25H29N5O2S/c1-15-7-8-19-17(11-15)12-21(27-19)23(31)28-18-6-4-3-5-16(18)13-26-24(32)25-29-20-9-10-30(2)14-22(20)33-25/h7-8,11-13,16,18,27H,3-6,9-10,14H2,1-2H3,(H,28,31)/b26-13+/t16?,18-/m0/s1
InChIKey	HQIHPOXKDUKURZ-QKLWNQDLSA-N
XLogP	4.12
TPSA	90.45 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	4.12
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]cyclohexyl]methylidene]-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]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 163623731) is 5-methyl-N-[[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexyl]methylidene]-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]cyclohexyl]methylidene]-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]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@H]3CCCCC3/C=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]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is HQIHPOXKDUKURZ-QKLWNQDLSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-15-7-8-19-17(11-15)12-21(27-19)23(31)28-18-6-4-3-5-16(18)13-26-24(32)25-29-20-9-10-30(2)14-22(20)33-25/h7-8,11-13,16,18,27H,3-6,9-10,14H2,1-2H3,(H,28,31)/b26-13+/t16?,18-/m0/s1.

What are the key properties of 5-methyl-N-[[(2S)-2-[(5-methyl-1H-indole-2-carbonyl)amino]cyclohexyl]methylidene]-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]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 4.12, 4 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]cyclohexyl]methylidene]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 163623731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).