N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H20N4O2S — CID 3855840

IUPACN-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H20N4O2S/c23-16(15-10-19-18-22(17(15)24)8-9-25-18)20-14-6-7-21(12-14)11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,20,23)
InChIKeyBUZBYHGCKRMBNM-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.35
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3855840) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3855840
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H20N4O2S/c23-16(15-10-19-18-22(17(15)24)8-9-25-18)20-14-6-7-21(12-14)11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,20,23)
InChIKeyBUZBYHGCKRMBNM-UHFFFAOYSA-N
XLogP1.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3855840) is N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BUZBYHGCKRMBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-16(15-10-19-18-22(17(15)24)8-9-25-18)20-14-6-7-21(12-14)11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,20,23).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3855840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).