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

C15H17N3O2S — CID 28505303

IUPAC1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3nc(N)sc3C2)cc1
InChIInChI=1S/C15H17N3O2S/c1-20-11-4-2-10(3-5-11)8-14(19)18-7-6-12-13(9-18)21-15(16)17-12/h2-5H,6-9H2,1H3,(H2,16,17)
InChIKeyMXHPNFOHAIQDJE-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.86
Rot. Bonds3

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

1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 28505303) 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)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID28505303
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)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3nc(N)sc3C2)cc1
InChIInChI=1S/C15H17N3O2S/c1-20-11-4-2-10(3-5-11)8-14(19)18-7-6-12-13(9-18)21-15(16)17-12/h2-5H,6-9H2,1H3,(H2,16,17)
InChIKeyMXHPNFOHAIQDJE-UHFFFAOYSA-N
XLogP1.86
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528392
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876
6-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97361501
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one
CID 28505312
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenyl)ethanone
CID 90620879
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone
CID 71603366
N-[5-[2-(4-ethoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526530
methyl N-[5-[2-(4-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528879
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
6-[2-(3-methoxyphenyl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442513
N-[5-[2-(4-ethoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532040
1-[4-(4-methoxyphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 46073656

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)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone (CID 28505303) is 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCc3nc(N)sc3C2)cc1.
What is the InChIKey of 1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is MXHPNFOHAIQDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-11-4-2-10(3-5-11)8-14(19)18-7-6-12-13(9-18)21-15(16)17-12/h2-5H,6-9H2,1H3,(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)-2-(4-methoxyphenyl)ethanone?
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 303.39 g/mol, XLogP of 1.86, 3 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)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 28505303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).