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

C17H21N3O2S — CID 3766444

IUPACN-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H21N3O2S/c21-14(13-9-18-16-20(15(13)22)1-2-23-16)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,1-8H2,(H,19,21)
InChIKeyGVQQLSXJIBUQRI-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.05
Rot. Bonds2

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

N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3766444) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3766444
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H21N3O2S/c21-14(13-9-18-16-20(15(13)22)1-2-23-16)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,1-8H2,(H,19,21)
InChIKeyGVQQLSXJIBUQRI-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3766444) is N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GVQQLSXJIBUQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-14(13-9-18-16-20(15(13)22)1-2-23-16)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,1-8H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3766444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).