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

C17H19N3O3S — CID 90525321

IUPACmethyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCc3nc(NC(C)=O)sc3C2)cc1
InChIInChI=1S/C17H19N3O3S/c1-11(21)18-17-19-14-7-8-20(10-15(14)24-17)9-12-3-5-13(6-4-12)16(22)23-2/h3-6H,7-10H2,1-2H3,(H,18,19,21)
InChIKeyHDMHIYZZQGTDQR-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.45
Rot. Bonds4

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

methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate (PubChem CID 90525321) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate
PubChem CID90525321
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Namemethyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCc3nc(NC(C)=O)sc3C2)cc1
InChIInChI=1S/C17H19N3O3S/c1-11(21)18-17-19-14-7-8-20(10-15(14)24-17)9-12-3-5-13(6-4-12)16(22)23-2/h3-6H,7-10H2,1-2H3,(H,18,19,21)
InChIKeyHDMHIYZZQGTDQR-UHFFFAOYSA-N
XLogP2.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[2-(cyclopropanecarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate
CID 90525792
methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate
CID 90531798
N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 2382313
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
methyl 4-[[2-[2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
CID 90528542
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
2-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpropanamide
CID 119828595
N-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532209

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate (CID 90525321) is methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate is COC(=O)c1ccc(CN2CCc3nc(NC(C)=O)sc3C2)cc1.
What is the InChIKey of methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate?
The InChIKey is HDMHIYZZQGTDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(21)18-17-19-14-7-8-20(10-15(14)24-17)9-12-3-5-13(6-4-12)16(22)23-2/h3-6H,7-10H2,1-2H3,(H,18,19,21).
What are the key properties of methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate?
methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate has a molecular weight of 345.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate is sourced from PubChem (CID 90525321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).