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

C12H15N3O2S — CID 17248298

IUPACN-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H15N3O2S/c1-8(2)3-4-13-10(16)9-7-14-12-15(11(9)17)5-6-18-12/h5-8H,3-4H2,1-2H3,(H,13,16)
InChIKeyMPIUYEJGBAUSJD-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.53
Rot. Bonds4

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

N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248298) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248298
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H15N3O2S/c1-8(2)3-4-13-10(16)9-7-14-12-15(11(9)17)5-6-18-12/h5-8H,3-4H2,1-2H3,(H,13,16)
InChIKeyMPIUYEJGBAUSJD-UHFFFAOYSA-N
XLogP1.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248298) is N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MPIUYEJGBAUSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(2)3-4-13-10(16)9-7-14-12-15(11(9)17)5-6-18-12/h5-8H,3-4H2,1-2H3,(H,13,16).
What are the key properties of N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).