2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H17N3O2S — CID 99819587

IUPAC2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCc3cccc4ccccc34)c(=O)n2c1C
InChIInChI=1S/C20H17N3O2S/c1-12-13(2)26-20-22-11-17(19(25)23(12)20)18(24)21-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeySEVGCRHVGYDPEL-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.46
Rot. Bonds3

About 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 99819587) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID99819587
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCc3cccc4ccccc34)c(=O)n2c1C
InChIInChI=1S/C20H17N3O2S/c1-12-13(2)26-20-22-11-17(19(25)23(12)20)18(24)21-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeySEVGCRHVGYDPEL-UHFFFAOYSA-N
XLogP3.46
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 99819587) is 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NCc3cccc4ccccc34)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SEVGCRHVGYDPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-13(2)26-20-22-11-17(19(25)23(12)20)18(24)21-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,11H,10H2,1-2H3,(H,21,24).
What are the key properties of 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 99819587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).