N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide

C19H18Cl2N4O3S — CID 59392900

IUPACN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2sc(CN3CCCC3)cn2c(=O)c1O
InChIInChI=1S/C19H18Cl2N4O3S/c20-13-4-3-11(7-14(13)21)8-22-17(27)15-16(26)18(28)25-10-12(29-19(25)23-15)9-24-5-1-2-6-24/h3-4,7,10,26H,1-2,5-6,8-9H2,(H,22,27)
InChIKeyMJDPTZVVHUROOA-UHFFFAOYSA-N
MW453.35 g/mol
LogP3.29
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide

N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide (PubChem CID 59392900) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
PubChem CID59392900
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2sc(CN3CCCC3)cn2c(=O)c1O
InChIInChI=1S/C19H18Cl2N4O3S/c20-13-4-3-11(7-14(13)21)8-22-17(27)15-16(26)18(28)25-10-12(29-19(25)23-15)9-24-5-1-2-6-24/h3-4,7,10,26H,1-2,5-6,8-9H2,(H,22,27)
InChIKeyMJDPTZVVHUROOA-UHFFFAOYSA-N
XLogP3.29
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-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

dibutyl-[[7-[(3,4-dichlorophenyl)methylcarbamoyl]-6-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl]methyl]azanium
CID 57494557
N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682024
7-[(3-chloro-2-fluorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392912
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxopyrimido[1,2-a]benzimidazole-2-carboxamide
CID 58101160
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54683246
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide
CID 143705027
N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(iminomethylidene)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 176542639
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 54677530
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 135601924
2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 58101076
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide (CID 59392900) is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2sc(CN3CCCC3)cn2c(=O)c1O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
The InChIKey is MJDPTZVVHUROOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c20-13-4-3-11(7-14(13)21)8-22-17(27)15-16(26)18(28)25-10-12(29-19(25)23-15)9-24-5-1-2-6-24/h3-4,7,10,26H,1-2,5-6,8-9H2,(H,22,27).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide has a molecular weight of 453.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 59392900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).