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

C13H17N3O3S — CID 126471247

IUPAC7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NC(CC)CO
InChIInChI=1S/C13H17N3O3S/c1-3-8(7-17)14-11(18)10-9(4-2)15-13-16(12(10)19)5-6-20-13/h5-6,8,17H,3-4,7H2,1-2H3,(H,14,18)
InChIKeyFDRZUODGXFVXLN-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.82
Rot. Bonds5

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

7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471247) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471247
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)NC(CC)CO
InChIInChI=1S/C13H17N3O3S/c1-3-8(7-17)14-11(18)10-9(4-2)15-13-16(12(10)19)5-6-20-13/h5-6,8,17H,3-4,7H2,1-2H3,(H,14,18)
InChIKeyFDRZUODGXFVXLN-UHFFFAOYSA-N
XLogP0.82
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

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Related Compounds

7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470636
N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43417879
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
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-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471162
3-ethyl-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51199261
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea
CID 108889196
7-methylsulfanyl-5-oxo-N-[(2-phenoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470169

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471247) is 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1nc2sccn2c(=O)c1C(=O)NC(CC)CO.
What is the InChIKey of 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FDRZUODGXFVXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-8(7-17)14-11(18)10-9(4-2)15-13-16(12(10)19)5-6-20-13/h5-6,8,17H,3-4,7H2,1-2H3,(H,14,18).
What are the key properties of 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethyl-N-(1-hydroxybutan-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, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).