N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H20N4O2S — CID 51257189

IUPACN-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C19H20N4O2S/c1-21(13-14-6-2-3-7-16(14)22-8-4-5-9-22)17(24)15-12-20-19-23(18(15)25)10-11-26-19/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3
InChIKeyDTOWYWYOTRMMFI-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51257189) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51257189
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C19H20N4O2S/c1-21(13-14-6-2-3-7-16(14)22-8-4-5-9-22)17(24)15-12-20-19-23(18(15)25)10-11-26-19/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3
InChIKeyDTOWYWYOTRMMFI-UHFFFAOYSA-N
XLogP2.63
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51257189) is N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DTOWYWYOTRMMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-21(13-14-6-2-3-7-16(14)22-8-4-5-9-22)17(24)15-12-20-19-23(18(15)25)10-11-26-19/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3.
What are the key properties of N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51257189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).