7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C10H11N3O4S — CID 135927483

IUPAC7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCO)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C10H11N3O4S/c14-4-1-2-11-7(15)6-8(16)12-10-13(9(6)17)3-5-18-10/h3,5,14,16H,1-2,4H2,(H,11,15)
InChIKeySGYLHTDMTPVBGY-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.43
Rot. Bonds4

About 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135927483) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135927483
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCO)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C10H11N3O4S/c14-4-1-2-11-7(15)6-8(16)12-10-13(9(6)17)3-5-18-10/h3,5,14,16H,1-2,4H2,(H,11,15)
InChIKeySGYLHTDMTPVBGY-UHFFFAOYSA-N
XLogP-0.43
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-N-(3-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853292
7-hydroxy-N-(2-hydroxypropyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853348
7-hydroxy-N-isobutyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853289
N-butyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853287
5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103723005
N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103769886
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 104857204
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
n-Allyl-5-oxo-5h-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598741
N-butyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248280
N-isobutyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248281
N-(2-hydroxyethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248285

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135927483) is 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCO)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SGYLHTDMTPVBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c14-4-1-2-11-7(15)6-8(16)12-10-13(9(6)17)3-5-18-10/h3,5,14,16H,1-2,4H2,(H,11,15).
What are the key properties of 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 269.28 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135927483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).