3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide

C15H18N6O2S — CID 16882079

IUPAC3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3nccs3)cnc21
InChIInChI=1S/C15H18N6O2S/c1-15(2,3)21-12-10(8-18-21)13(23)20(9-17-12)6-4-11(22)19-14-16-5-7-24-14/h5,7-9H,4,6H2,1-3H3,(H,16,19,22)
InChIKeyKHFILWJMFAHNFO-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.83
Rot. Bonds4

About 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 16882079) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID16882079
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3nccs3)cnc21
InChIInChI=1S/C15H18N6O2S/c1-15(2,3)21-12-10(8-18-21)13(23)20(9-17-12)6-4-11(22)19-14-16-5-7-24-14/h5,7-9H,4,6H2,1-3H3,(H,16,19,22)
InChIKeyKHFILWJMFAHNFO-UHFFFAOYSA-N
XLogP1.83
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 16882079) is 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3nccs3)cnc21.
What is the InChIKey of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is KHFILWJMFAHNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-15(2,3)21-12-10(8-18-21)13(23)20(9-17-12)6-4-11(22)19-14-16-5-7-24-14/h5,7-9H,4,6H2,1-3H3,(H,16,19,22).
What are the key properties of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 346.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16882079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).