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

C11H13N3O4S — CID 135853297

IUPAC7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O4S/c1-6(5-18-2)12-8(15)7-9(16)13-11-14(10(7)17)3-4-19-11/h3-4,6,16H,5H2,1-2H3,(H,12,15)
InChIKeySKZCNNMZVRYVOW-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.23
Rot. Bonds4

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

7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853297) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853297
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O4S/c1-6(5-18-2)12-8(15)7-9(16)13-11-14(10(7)17)3-4-19-11/h3-4,6,16H,5H2,1-2H3,(H,12,15)
InChIKeySKZCNNMZVRYVOW-UHFFFAOYSA-N
XLogP0.23
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853302
7-hydroxy-N-(2-morpholinoethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853336
7-hydroxy-3-methyl-N-(2-morpholinoethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853382
7-hydroxy-N-(3-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853292
N-(2,2-diethoxyethyl)-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853301
7-hydroxy-N-(2-hydroxypropyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853348
7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853383
N-(2-methoxyethyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248323
7-hydroxy-N-isobutyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853289
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
N-butyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853287
5-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 133817260

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853297) is 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCC(C)NC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SKZCNNMZVRYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-6(5-18-2)12-8(15)7-9(16)13-11-14(10(7)17)3-4-19-11/h3-4,6,16H,5H2,1-2H3,(H,12,15).
What are the key properties of 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).