2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide

C26H26N6O2S — CID 164526382

IUPAC2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)Nc2cccc(CNc3ncc(-c4ccncc4)c4c3CCO4)c2)cs1
InChIInChI=1S/C26H26N6O2S/c1-32(2)15-23-31-22(16-35-23)26(33)30-19-5-3-4-17(12-19)13-28-25-20-8-11-34-24(20)21(14-29-25)18-6-9-27-10-7-18/h3-7,9-10,12,14,16H,8,11,13,15H2,1-2H3,(H,28,29)(H,30,33)
InChIKeyNECPZFCALASMAP-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.46
Rot. Bonds8

About 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide

2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 164526382) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID164526382
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)Nc2cccc(CNc3ncc(-c4ccncc4)c4c3CCO4)c2)cs1
InChIInChI=1S/C26H26N6O2S/c1-32(2)15-23-31-22(16-35-23)26(33)30-19-5-3-4-17(12-19)13-28-25-20-8-11-34-24(20)21(14-29-25)18-6-9-27-10-7-18/h3-7,9-10,12,14,16H,8,11,13,15H2,1-2H3,(H,28,29)(H,30,33)
InChIKeyNECPZFCALASMAP-UHFFFAOYSA-N
XLogP4.46
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-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 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide (CID 164526382) is 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide is CN(C)Cc1nc(C(=O)Nc2cccc(CNc3ncc(-c4ccncc4)c4c3CCO4)c2)cs1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NECPZFCALASMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-32(2)15-23-31-22(16-35-23)26(33)30-19-5-3-4-17(12-19)13-28-25-20-8-11-34-24(20)21(14-29-25)18-6-9-27-10-7-18/h3-7,9-10,12,14,16H,8,11,13,15H2,1-2H3,(H,28,29)(H,30,33).
What are the key properties of 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide?
2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164526382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).