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

C13H13N3O2S — CID 126470529

IUPACN,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC#CCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H13N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h1,7H,6H2,2-4H3
InChIKeyVVPOLDWDTGRACJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.08
Rot. Bonds2

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

N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470529) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470529
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC#CCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H13N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h1,7H,6H2,2-4H3
InChIKeyVVPOLDWDTGRACJ-UHFFFAOYSA-N
XLogP1.08
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470529) is N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C#CCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O.
What is the InChIKey of N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VVPOLDWDTGRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h1,7H,6H2,2-4H3.
What are the key properties of N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).