N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H20N4O2S — CID 53145632

IUPACN-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1
InChIInChI=1S/C20H20N4O2S/c1-26-16-7-5-15(6-8-16)22-19(25)17-13-27-20(23-17)14-4-9-18(21-12-14)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)
InChIKeyWBBCBLVHZLFZLV-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.07
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145632) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145632
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1
InChIInChI=1S/C20H20N4O2S/c1-26-16-7-5-15(6-8-16)22-19(25)17-13-27-20(23-17)14-4-9-18(21-12-14)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)
InChIKeyWBBCBLVHZLFZLV-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-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

methyl 4-[[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 53145732
N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145624
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746
N-(4-chloro-2-methylphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145637
N-cycloheptyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145639
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 58867808
N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145729
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145632) is N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WBBCBLVHZLFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-26-16-7-5-15(6-8-16)22-19(25)17-13-27-20(23-17)14-4-9-18(21-12-14)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25).
What are the key properties of N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).