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

C11H13N3O3S — CID 43500913

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-11(2,6-15)13-8(16)7-5-12-10-14(9(7)17)3-4-18-10/h3-5,15H,6H2,1-2H3,(H,13,16)
InChIKeySUQQHLUHPOLATK-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.26
Rot. Bonds3

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

N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 43500913) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID43500913
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-11(2,6-15)13-8(16)7-5-12-10-14(9(7)17)3-4-18-10/h3-5,15H,6H2,1-2H3,(H,13,16)
InChIKeySUQQHLUHPOLATK-UHFFFAOYSA-N
XLogP0.26
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-N-(2-hydroxypropyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853348
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-(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-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103915453
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 104857204
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107482917
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
N-(tert-butyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4389947

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 43500913) is N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(CO)NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SUQQHLUHPOLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-11(2,6-15)13-8(16)7-5-12-10-14(9(7)17)3-4-18-10/h3-5,15H,6H2,1-2H3,(H,13,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43500913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).