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

C12H11N3O2S — CID 126469486

IUPACN,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC#CCN(C)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H11N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h1,6-7H,5H2,2-3H3
InChIKeyUWHXWGUJEJCPSP-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.77
Rot. Bonds2

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

N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469486) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469486
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC#CCN(C)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H11N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h1,6-7H,5H2,2-3H3
InChIKeyUWHXWGUJEJCPSP-UHFFFAOYSA-N
XLogP0.77
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.77
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,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469486) is N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,3-dimethyl-5-oxo-N-prop-2-ynyl-[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-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UWHXWGUJEJCPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h1,6-7H,5H2,2-3H3.
What are the key properties of N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 0.77, 2 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-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).