3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C20H31N5OS — CID 29413220

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCCN1CCc2nc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)sc2C1
InChIInChI=1S/C20H31N5OS/c1-6-24-10-9-17-18(12-24)27-20(21-17)22-19(26)8-7-16-14(4)23-25(15(16)5)11-13(2)3/h13H,6-12H2,1-5H3,(H,21,22,26)
InChIKeyBBAMZQPYVSKIBY-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.56
Rot. Bonds7

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 29413220) has the molecular formula C20H31N5OS and a molecular weight of 389.57 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
PubChem CID29413220
Molecular FormulaC20H31N5OS
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCCN1CCc2nc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)sc2C1
InChIInChI=1S/C20H31N5OS/c1-6-24-10-9-17-18(12-24)27-20(21-17)22-19(26)8-7-16-14(4)23-25(15(16)5)11-13(2)3/h13H,6-12H2,1-5H3,(H,21,22,26)
InChIKeyBBAMZQPYVSKIBY-UHFFFAOYSA-N
XLogP3.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 29413220) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is CCN1CCc2nc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)sc2C1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The InChIKey is BBAMZQPYVSKIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5OS/c1-6-24-10-9-17-18(12-24)27-20(21-17)22-19(26)8-7-16-14(4)23-25(15(16)5)11-13(2)3/h13H,6-12H2,1-5H3,(H,21,22,26).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 389.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 29413220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).