N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide

C27H26N4O3S — CID 91754761

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1
InChIInChI=1S/C27H26N4O3S/c1-31(2)25-14-18(12-13-28-25)16-29-26(32)24-17-30-27(35-24)33-21-9-11-23-20(15-21)8-10-22(34-23)19-6-4-3-5-7-19/h3-7,9,11-15,17,22H,8,10,16H2,1-2H3,(H,29,32)
InChIKeyIXLSHHDNJNPEBC-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.39
Rot. Bonds7

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 91754761) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID91754761
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1
InChIInChI=1S/C27H26N4O3S/c1-31(2)25-14-18(12-13-28-25)16-29-26(32)24-17-30-27(35-24)33-21-9-11-23-20(15-21)8-10-22(34-23)19-6-4-3-5-7-19/h3-7,9,11-15,17,22H,8,10,16H2,1-2H3,(H,29,32)
InChIKeyIXLSHHDNJNPEBC-UHFFFAOYSA-N
XLogP5.39
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-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 N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (CID 91754761) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is CN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is IXLSHHDNJNPEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-31(2)25-14-18(12-13-28-25)16-29-26(32)24-17-30-27(35-24)33-21-9-11-23-20(15-21)8-10-22(34-23)19-6-4-3-5-7-19/h3-7,9,11-15,17,22H,8,10,16H2,1-2H3,(H,29,32).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).