2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C15H16N4O2S2 — CID 90508481

IUPAC2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)c3sc(C)nc3C)csc2n1
InChIInChI=1S/C15H16N4O2S2/c1-8-6-12(20)19-11(7-22-15(19)17-8)4-5-16-14(21)13-9(2)18-10(3)23-13/h6-7H,4-5H2,1-3H3,(H,16,21)
InChIKeyLPLZWUMVMLPMNF-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.11
Rot. Bonds4

About 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 90508481) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID90508481
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)c3sc(C)nc3C)csc2n1
InChIInChI=1S/C15H16N4O2S2/c1-8-6-12(20)19-11(7-22-15(19)17-8)4-5-16-14(21)13-9(2)18-10(3)23-13/h6-7H,4-5H2,1-3H3,(H,16,21)
InChIKeyLPLZWUMVMLPMNF-UHFFFAOYSA-N
XLogP2.11
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 90508481) is 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1cc(=O)n2c(CCNC(=O)c3sc(C)nc3C)csc2n1.
What is the InChIKey of 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LPLZWUMVMLPMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-8-6-12(20)19-11(7-22-15(19)17-8)4-5-16-14(21)13-9(2)18-10(3)23-13/h6-7H,4-5H2,1-3H3,(H,16,21).
What are the key properties of 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90508481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).