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

C12H13N3O2S — CID 126469312

IUPACN,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H13N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h4,6-7H,1,5H2,2-3H3
InChIKeyJHWZNCRDYRMOQZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.32
Rot. Bonds3

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

N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469312) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469312
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H13N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h4,6-7H,1,5H2,2-3H3
InChIKeyJHWZNCRDYRMOQZ-UHFFFAOYSA-N
XLogP1.32
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16767103
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
3-Methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5183768
N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
CID 50848343
3-methyl-5-oxo-N-(2-sulfanylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 177680073
7-[(4,5-Dimethyl-6-oxopyrimidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99825192
N,2-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99832306
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
N,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3419989
3-Methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3420653
6-(Pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591995
6-(2-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591997

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469312) is N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C=CCN(C)C(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JHWZNCRDYRMOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).