3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C16H23N5O2S — CID 38417228

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCN1CCc2nc(NC(=O)CCc3nc(C(C)(C)C)no3)sc2C1
InChIInChI=1S/C16H23N5O2S/c1-16(2,3)14-19-13(23-20-14)6-5-12(22)18-15-17-10-7-8-21(4)9-11(10)24-15/h5-9H2,1-4H3,(H,17,18,22)
InChIKeyUPXFTFVRRRQVLN-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.38
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 38417228) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
PubChem CID38417228
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCN1CCc2nc(NC(=O)CCc3nc(C(C)(C)C)no3)sc2C1
InChIInChI=1S/C16H23N5O2S/c1-16(2,3)14-19-13(23-20-14)6-5-12(22)18-15-17-10-7-8-21(4)9-11(10)24-15/h5-9H2,1-4H3,(H,17,18,22)
InChIKeyUPXFTFVRRRQVLN-UHFFFAOYSA-N
XLogP2.38
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide with MolForge

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Related Compounds

3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480434
4-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 39177041
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylacetamide
CID 110444203
tert-butyl 2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 24631677
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35978089
4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
CID 84561267
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 31246798
1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 47433636
N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108523995
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 38417228) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is CN1CCc2nc(NC(=O)CCc3nc(C(C)(C)C)no3)sc2C1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The InChIKey is UPXFTFVRRRQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-16(2,3)14-19-13(23-20-14)6-5-12(22)18-15-17-10-7-8-21(4)9-11(10)24-15/h5-9H2,1-4H3,(H,17,18,22).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 38417228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).