3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide

C13H21N3OS — CID 35340146

IUPAC3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
SMILESCN1CCc2nc(NC(=O)CC(C)(C)C)sc2C1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)7-11(17)15-12-14-9-5-6-16(4)8-10(9)18-12/h5-8H2,1-4H3,(H,14,15,17)
InChIKeySSKPJUCXAKNIFY-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.51
Rot. Bonds2

About 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide

3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide (PubChem CID 35340146) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
PubChem CID35340146
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
SMILESCN1CCc2nc(NC(=O)CC(C)(C)C)sc2C1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)7-11(17)15-12-14-9-5-6-16(4)8-10(9)18-12/h5-8H2,1-4H3,(H,14,15,17)
InChIKeySSKPJUCXAKNIFY-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide (CID 35340146) is 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide is CN1CCc2nc(NC(=O)CC(C)(C)C)sc2C1.
What is the InChIKey of 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
The InChIKey is SSKPJUCXAKNIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)7-11(17)15-12-14-9-5-6-16(4)8-10(9)18-12/h5-8H2,1-4H3,(H,14,15,17).
What are the key properties of 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide?
3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide has a molecular weight of 267.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide is sourced from PubChem (CID 35340146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).