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

C10H13N3O4S — CID 66175810

IUPACN-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)CO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H13N3O4S/c14-5-6(15)3-11-8(16)7-4-12-10-13(9(7)17)1-2-18-10/h4,6,14-15H,1-3,5H2,(H,11,16)
InChIKeyWXWLUQURBKDULX-UHFFFAOYSA-N
MW271.30 g/mol
LogP-1.57
Rot. Bonds4

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

N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 66175810) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID66175810
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)CO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H13N3O4S/c14-5-6(15)3-11-8(16)7-4-12-10-13(9(7)17)1-2-18-10/h4,6,14-15H,1-3,5H2,(H,11,16)
InChIKeyWXWLUQURBKDULX-UHFFFAOYSA-N
XLogP-1.57
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 66175810) is N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(O)CO)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WXWLUQURBKDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-5-6(15)3-11-8(16)7-4-12-10-13(9(7)17)1-2-18-10/h4,6,14-15H,1-3,5H2,(H,11,16).
What are the key properties of N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 271.30 g/mol, XLogP of -1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 66175810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).