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

C21H22N4O3S — CID 53145624

IUPACN-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1OC
InChIInChI=1S/C21H22N4O3S/c1-27-17-7-6-15(11-18(17)28-2)23-20(26)16-13-29-21(24-16)14-5-8-19(22-12-14)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,26)
InChIKeyUXCYIKUKOIBWFY-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.07
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145624) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145624
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1OC
InChIInChI=1S/C21H22N4O3S/c1-27-17-7-6-15(11-18(17)28-2)23-20(26)16-13-29-21(24-16)14-5-8-19(22-12-14)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,26)
InChIKeyUXCYIKUKOIBWFY-UHFFFAOYSA-N
XLogP4.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethoxyphenyl)-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

N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
methyl 4-[[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 53145732
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
N-(4-chloro-2-methylphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145637
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 34429840
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-cycloheptyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145639
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
N-(3-carbamoyl-4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46423829

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145624) is N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UXCYIKUKOIBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-27-17-7-6-15(11-18(17)28-2)23-20(26)16-13-29-21(24-16)14-5-8-19(22-12-14)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).