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

C12H13N3O3S — CID 135853302

IUPACN-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-9(13-7-3-1-2-4-7)8-10(17)14-12-15(11(8)18)5-6-19-12/h5-7,17H,1-4H2,(H,13,16)
InChIKeyXWJNBZGWIPINAC-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.13
Rot. Bonds2

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

N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853302) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853302
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-9(13-7-3-1-2-4-7)8-10(17)14-12-15(11(8)18)5-6-19-12/h5-7,17H,1-4H2,(H,13,16)
InChIKeyXWJNBZGWIPINAC-UHFFFAOYSA-N
XLogP1.13
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3236322
N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853303
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
N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853358
7-hydroxy-N-(3-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853292
N-cyclopropyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248283
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
N-cycloheptyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3450654

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853302) is N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCC1)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XWJNBZGWIPINAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-9(13-7-3-1-2-4-7)8-10(17)14-12-15(11(8)18)5-6-19-12/h5-7,17H,1-4H2,(H,13,16).
What are the key properties of N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).