1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide

C26H26N4O2S2 — CID 67262714

IUPAC1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2cccc3ccn(C)c23)c1
InChIInChI=1S/C26H26N4O2S2/c1-16-6-4-8-19(14-16)24-22(28-17(2)34-24)26(32)30-12-13-33-21(30)15-27-25(31)20-9-5-7-18-10-11-29(3)23(18)20/h4-11,14,21H,12-13,15H2,1-3H3,(H,27,31)
InChIKeyOASNKBGGOJRCJT-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.86
Rot. Bonds5

About 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide

1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide (PubChem CID 67262714) has the molecular formula C26H26N4O2S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide
PubChem CID67262714
Molecular FormulaC26H26N4O2S2
Molecular Weight490.65 g/mol
Exact Mass490.15
IUPAC Name1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2cccc3ccn(C)c23)c1
InChIInChI=1S/C26H26N4O2S2/c1-16-6-4-8-19(14-16)24-22(28-17(2)34-24)26(32)30-12-13-33-21(30)15-27-25(31)20-9-5-7-18-10-11-29(3)23(18)20/h4-11,14,21H,12-13,15H2,1-3H3,(H,27,31)
InChIKeyOASNKBGGOJRCJT-UHFFFAOYSA-N
XLogP4.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide?
The IUPAC name of 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide (CID 67262714) is 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2cccc3ccn(C)c23)c1.
What is the InChIKey of 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide?
The InChIKey is OASNKBGGOJRCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S2/c1-16-6-4-8-19(14-16)24-22(28-17(2)34-24)26(32)30-12-13-33-21(30)15-27-25(31)20-9-5-7-18-10-11-29(3)23(18)20/h4-11,14,21H,12-13,15H2,1-3H3,(H,27,31).
What are the key properties of 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide?
1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]indole-7-carboxamide is sourced from PubChem (CID 67262714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).