2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone

C13H15N5OS — CID 154866394

IUPAC2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
SMILESO=C(Cc1csc(C2CC2)n1)N1CCCc2n[nH]nc21
InChIInChI=1S/C13H15N5OS/c19-11(6-9-7-20-13(14-9)8-3-4-8)18-5-1-2-10-12(18)16-17-15-10/h7-8H,1-6H2,(H,15,16,17)
InChIKeyAWUPCPBJFUYQMM-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.66
Rot. Bonds3

About 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone

2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone (PubChem CID 154866394) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
PubChem CID154866394
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
SMILESO=C(Cc1csc(C2CC2)n1)N1CCCc2n[nH]nc21
InChIInChI=1S/C13H15N5OS/c19-11(6-9-7-20-13(14-9)8-3-4-8)18-5-1-2-10-12(18)16-17-15-10/h7-8H,1-6H2,(H,15,16,17)
InChIKeyAWUPCPBJFUYQMM-UHFFFAOYSA-N
XLogP1.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone with MolForge

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Related Compounds

2-chloro-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
CID 130671600
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
CID 80573665
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
CID 62367219
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95768027
3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
CID 116889315
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95768074
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344059
N-[[2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149358

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The IUPAC name of 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone (CID 154866394) is 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone.
What is the SMILES notation for 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The canonical SMILES for 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone is O=C(Cc1csc(C2CC2)n1)N1CCCc2n[nH]nc21.
What is the InChIKey of 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The InChIKey is AWUPCPBJFUYQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c19-11(6-9-7-20-13(14-9)8-3-4-8)18-5-1-2-10-12(18)16-17-15-10/h7-8H,1-6H2,(H,15,16,17).
What are the key properties of 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone has a molecular weight of 289.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone is sourced from PubChem (CID 154866394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).