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

C12H13N3O3S — CID 55171973

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C1CC1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-9(7-1-2-7)6-13-10(17)8-5-14-12-15(11(8)18)3-4-19-12/h3-5,7,9,16H,1-2,6H2,(H,13,17)
InChIKeyVEGHIZJUYQFXLG-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.26
Rot. Bonds4

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

N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 55171973) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID55171973
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C1CC1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-9(7-1-2-7)6-13-10(17)8-5-14-12-15(11(8)18)3-4-19-12/h3-5,7,9,16H,1-2,6H2,(H,13,17)
InChIKeyVEGHIZJUYQFXLG-UHFFFAOYSA-N
XLogP0.26
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 55171973) is N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(O)C1CC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VEGHIZJUYQFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-9(7-1-2-7)6-13-10(17)8-5-14-12-15(11(8)18)3-4-19-12/h3-5,7,9,16H,1-2,6H2,(H,13,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 55171973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).