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

C12H15N3O2S — CID 126469799

IUPACN,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H15N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h6-7H,4-5H2,1-3H3
InChIKeyBIDYYAIELNSNFL-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.55
Rot. Bonds3

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

N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469799) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469799
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H15N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h6-7H,4-5H2,1-3H3
InChIKeyBIDYYAIELNSNFL-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469799) is N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(C)C(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BIDYYAIELNSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-5-14(3)10(16)9-6-13-12-15(11(9)17)8(2)7-18-12/h6-7H,4-5H2,1-3H3.
What are the key properties of N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.55, 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-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).