N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H20N4O2S — CID 166276722

IUPACN-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(N)C(NC(=O)c1cnc2n(c1=O)CCS2)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N4O2S/c1-12(21)17(15-7-6-13-4-2-3-5-14(13)10-15)23-18(25)16-11-22-20-24(19(16)26)8-9-27-20/h2-7,10-12,17H,8-9,21H2,1H3,(H,23,25)
InChIKeyYQLXTKPIMMRMBL-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.32
Rot. Bonds4

About N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 166276722) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID166276722
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(N)C(NC(=O)c1cnc2n(c1=O)CCS2)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N4O2S/c1-12(21)17(15-7-6-13-4-2-3-5-14(13)10-15)23-18(25)16-11-22-20-24(19(16)26)8-9-27-20/h2-7,10-12,17H,8-9,21H2,1H3,(H,23,25)
InChIKeyYQLXTKPIMMRMBL-UHFFFAOYSA-N
XLogP2.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 166276722) is N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(N)C(NC(=O)c1cnc2n(c1=O)CCS2)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YQLXTKPIMMRMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12(21)17(15-7-6-13-4-2-3-5-14(13)10-15)23-18(25)16-11-22-20-24(19(16)26)8-9-27-20/h2-7,10-12,17H,8-9,21H2,1H3,(H,23,25).
What are the key properties of N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylpropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166276722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).