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

C13H17N3O3S — CID 126470636

IUPAC7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C13H17N3O3S/c1-4-8-9(10(18)15-13(2,3)7-17)11(19)16-5-6-20-12(16)14-8/h5-6,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyQTHQOWRKEMZZDF-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.82
Rot. Bonds4

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

7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470636) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470636
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C13H17N3O3S/c1-4-8-9(10(18)15-13(2,3)7-17)11(19)16-5-6-20-12(16)14-8/h5-6,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyQTHQOWRKEMZZDF-UHFFFAOYSA-N
XLogP0.82
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471247
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103890996
N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471162
7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826
7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135409170
(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82503893
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135938794
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
7-methylsulfanyl-5-oxo-N-[(2-phenoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470169
3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 66121139
ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
CID 16933416
(3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
CID 134535469

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470636) is 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1nc2sccn2c(=O)c1C(=O)NC(C)(C)CO.
What is the InChIKey of 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QTHQOWRKEMZZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-8-9(10(18)15-13(2,3)7-17)11(19)16-5-6-20-12(16)14-8/h5-6,17H,4,7H2,1-3H3,(H,15,18).
What are the key properties of 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).