N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H13N3O3S — CID 66005182

IUPACN-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-8-3-7(4-8)5-13-10(17)9-6-14-12-15(11(9)18)1-2-19-12/h1-2,6-8,16H,3-5H2,(H,13,17)
InChIKeyQIHILRCXTDNSEJ-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.26
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 66005182) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID66005182
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-8-3-7(4-8)5-13-10(17)9-6-14-12-15(11(9)18)1-2-19-12/h1-2,6-8,16H,3-5H2,(H,13,17)
InChIKeyQIHILRCXTDNSEJ-UHFFFAOYSA-N
XLogP0.26
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 66005182) is N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC1CC(O)C1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QIHILRCXTDNSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-8-3-7(4-8)5-13-10(17)9-6-14-12-15(11(9)18)1-2-19-12/h1-2,6-8,16H,3-5H2,(H,13,17).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.32 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-[(3-hydroxycyclobutyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 66005182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).