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

C19H22N4O2S — CID 17450811

IUPAC5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C19H22N4O2S/c24-17(16-12-21-19-23(18(16)25)9-10-26-19)20-11-14-3-5-15(6-4-14)13-22-7-1-2-8-22/h3-6,12H,1-2,7-11,13H2,(H,20,24)
InChIKeyXXLIJEHBDDORBL-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.87
Rot. Bonds5

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

5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17450811) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17450811
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(CN2CCCC2)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C19H22N4O2S/c24-17(16-12-21-19-23(18(16)25)9-10-26-19)20-11-14-3-5-15(6-4-14)13-22-7-1-2-8-22/h3-6,12H,1-2,7-11,13H2,(H,20,24)
InChIKeyXXLIJEHBDDORBL-UHFFFAOYSA-N
XLogP1.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5020022
N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46175391
N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3855840
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107318717
N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 66175810
5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24515603
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126778035
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86909385
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[2-(N-methylanilino)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 24655107
N,N-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 60692166

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17450811) is 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(CN2CCCC2)cc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XXLIJEHBDDORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-17(16-12-21-19-23(18(16)25)9-10-26-19)20-11-14-3-5-15(6-4-14)13-22-7-1-2-8-22/h3-6,12H,1-2,7-11,13H2,(H,20,24).
What are the key properties of 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17450811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).