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

C12H15N3O2S — CID 47163274

IUPACN-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H15N3O2S/c1-8(2)7-14(3)10(16)9-6-13-12-15(11(9)17)4-5-18-12/h4-6,8H,7H2,1-3H3
InChIKeyAEVCEEZWELQFTK-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.48
Rot. Bonds3

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

N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47163274) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID47163274
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C12H15N3O2S/c1-8(2)7-14(3)10(16)9-6-13-12-15(11(9)17)4-5-18-12/h4-6,8H,7H2,1-3H3
InChIKeyAEVCEEZWELQFTK-UHFFFAOYSA-N
XLogP1.48
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 63069932
N-methyl-N-(3-methylbutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51078962
N-methyl-N-[(2S)-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94173568
N-methyl-N-[(2-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51255229
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86853884
N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 50953235
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107482917
N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51257189
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18117640
3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 61007953
(2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 78975761
N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 102635379

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47163274) is N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CN(C)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AEVCEEZWELQFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(2)7-14(3)10(16)9-6-13-12-15(11(9)17)4-5-18-12/h4-6,8H,7H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47163274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).