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

C11H13N3O3S — CID 135853287

IUPACN-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-2-3-4-12-8(15)7-9(16)13-11-14(10(7)17)5-6-18-11/h5-6,16H,2-4H2,1H3,(H,12,15)
InChIKeySDKUFXWDIPOCIY-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.99
Rot. Bonds4

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

N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853287) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853287
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-2-3-4-12-8(15)7-9(16)13-11-14(10(7)17)5-6-18-11/h5-6,16H,2-4H2,1H3,(H,12,15)
InChIKeySDKUFXWDIPOCIY-UHFFFAOYSA-N
XLogP0.99
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853302
5-oxo-N-prop-2-enyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4448532
N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853303
N-butyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3240586
N-(sec-butyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4344057
N-cycloheptyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853307
5-hydroxy-7-keto-N-[3-(2-ketopyrrolidino)propyl]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853332
N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853354
7-hydroxy-N-(3-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853292
N-isobutyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4169048
N-cyclopropyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248283
N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853380

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853287) is N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCNC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SDKUFXWDIPOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-2-3-4-12-8(15)7-9(16)13-11-14(10(7)17)5-6-18-11/h5-6,16H,2-4H2,1H3,(H,12,15).
What are the key properties of N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).