2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide

C22H20N4O2S2 — CID 56519901

IUPAC2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cs1
InChIInChI=1S/C22H20N4O2S2/c1-28-19-6-3-2-5-16(19)22-26-18(14-30-22)21(27)24-10-4-7-20-25-17(13-29-20)15-8-11-23-12-9-15/h2-3,5-6,8-9,11-14H,4,7,10H2,1H3,(H,24,27)
InChIKeyHJVRVDMORVMXLV-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.70
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide

2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 56519901) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID56519901
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cs1
InChIInChI=1S/C22H20N4O2S2/c1-28-19-6-3-2-5-16(19)22-26-18(14-30-22)21(27)24-10-4-7-20-25-17(13-29-20)15-8-11-23-12-9-15/h2-3,5-6,8-9,11-14H,4,7,10H2,1H3,(H,24,27)
InChIKeyHJVRVDMORVMXLV-UHFFFAOYSA-N
XLogP4.70
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-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

Related Compounds

2-(4-bromothiophen-2-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 51136003
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 56518615
2-(2,3-dimethoxyphenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 37271822
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
CID 120596443
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119953650
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (CID 56519901) is 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is COc1ccccc1-c1nc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cs1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HJVRVDMORVMXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-28-19-6-3-2-5-16(19)22-26-18(14-30-22)21(27)24-10-4-7-20-25-17(13-29-20)15-8-11-23-12-9-15/h2-3,5-6,8-9,11-14H,4,7,10H2,1H3,(H,24,27).
What are the key properties of 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56519901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).