2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H15N3O3S — CID 126470183

IUPAC2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NOC(C)C)c(=O)n2c1C
InChIInChI=1S/C12H15N3O3S/c1-6(2)18-14-10(16)9-5-13-12-15(11(9)17)7(3)8(4)19-12/h5-6H,1-4H3,(H,14,16)
InChIKeyVOAPJKDQQFVYKL-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.44
Rot. Bonds3

About 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470183) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470183
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NOC(C)C)c(=O)n2c1C
InChIInChI=1S/C12H15N3O3S/c1-6(2)18-14-10(16)9-5-13-12-15(11(9)17)7(3)8(4)19-12/h5-6H,1-4H3,(H,14,16)
InChIKeyVOAPJKDQQFVYKL-UHFFFAOYSA-N
XLogP1.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248388
N-(4-chlorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99821357
2,3-dimethyl-5-oxo-N-(4-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248437
N-(3-fluorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248392
2-[[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528443
methyl 2-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
CID 53370574
N-(4-hydroxycyclohexyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470484
2,3-dimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248405
2-benzyl-3-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120525091
2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99819584
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 52898778
2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99819587

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470183) is 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NOC(C)C)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VOAPJKDQQFVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-6(2)18-14-10(16)9-5-13-12-15(11(9)17)7(3)8(4)19-12/h5-6H,1-4H3,(H,14,16).
What are the key properties of 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).