1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one

C15H17N3O2S — CID 28505312

IUPAC1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one
SMILESNc1nc2c(s1)CN(C(=O)CCOc1ccccc1)CC2
InChIInChI=1S/C15H17N3O2S/c16-15-17-12-6-8-18(10-13(12)21-15)14(19)7-9-20-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17)
InChIKeyLXZUGLSSLLAXIN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.08
Rot. Bonds4

About 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one

1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one (PubChem CID 28505312) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one
PubChem CID28505312
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one
SMILESNc1nc2c(s1)CN(C(=O)CCOc1ccccc1)CC2
InChIInChI=1S/C15H17N3O2S/c16-15-17-12-6-8-18(10-13(12)21-15)14(19)7-9-20-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17)
InChIKeyLXZUGLSSLLAXIN-UHFFFAOYSA-N
XLogP2.08
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one with MolForge

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Related Compounds

1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone
CID 28505303
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102
4-phenoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 72878834
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
CID 24700835
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-chlorophenoxy)propanamide
CID 108725724
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
1-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-(2-methoxyphenoxy)ethanone
CID 82194170
3-phenoxy-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 110867183
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108749966

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one (CID 28505312) is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one is Nc1nc2c(s1)CN(C(=O)CCOc1ccccc1)CC2.
What is the InChIKey of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one?
The InChIKey is LXZUGLSSLLAXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-15-17-12-6-8-18(10-13(12)21-15)14(19)7-9-20-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17).
What are the key properties of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one?
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one has a molecular weight of 303.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 28505312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).