3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H18N4O2S — CID 126470400

IUPAC3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NCc3cccnc3)c(=O)n12
InChIInChI=1S/C17H18N4O2S/c1-17(2,3)13-10-24-16-20-9-12(15(23)21(13)16)14(22)19-8-11-5-4-6-18-7-11/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyCMAFOAYRQHYMAY-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.38
Rot. Bonds3

About 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470400) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470400
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NCc3cccnc3)c(=O)n12
InChIInChI=1S/C17H18N4O2S/c1-17(2,3)13-10-24-16-20-9-12(15(23)21(13)16)14(22)19-8-11-5-4-6-18-7-11/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyCMAFOAYRQHYMAY-UHFFFAOYSA-N
XLogP2.38
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470044
9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788
2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724251
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470400) is 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(C)c1csc2ncc(C(=O)NCc3cccnc3)c(=O)n12.
What is the InChIKey of 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CMAFOAYRQHYMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-17(2,3)13-10-24-16-20-9-12(15(23)21(13)16)14(22)19-8-11-5-4-6-18-7-11/h4-7,9-10H,8H2,1-3H3,(H,19,22).
What are the key properties of 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).