N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

C16H19N3O4S2 — CID 90525404

IUPACN-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2nc(NC(C)=O)sc2C1
InChIInChI=1S/C16H19N3O4S2/c1-10-4-5-13(23-3)15(8-10)25(21,22)19-7-6-12-14(9-19)24-16(18-12)17-11(2)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,18,20)
InChIKeyGDTWGXVLEIIALN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.17
Rot. Bonds4

About N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 90525404) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID90525404
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2nc(NC(C)=O)sc2C1
InChIInChI=1S/C16H19N3O4S2/c1-10-4-5-13(23-3)15(8-10)25(21,22)19-7-6-12-14(9-19)24-16(18-12)17-11(2)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,18,20)
InChIKeyGDTWGXVLEIIALN-UHFFFAOYSA-N
XLogP2.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529195
N-[5-(2,5-dimethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531434
methyl N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529167
N-[5-(5-methylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525408
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 50832309
methyl N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529206
N-[5-(2,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531858
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide
CID 50832606
N-[5-(4-methoxy-3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526783
methyl N-[5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529220
N-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525428
methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate
CID 90528236

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 90525404) is N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is COc1ccc(C)cc1S(=O)(=O)N1CCc2nc(NC(C)=O)sc2C1.
What is the InChIKey of N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is GDTWGXVLEIIALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-10-4-5-13(23-3)15(8-10)25(21,22)19-7-6-12-14(9-19)24-16(18-12)17-11(2)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,18,20).
What are the key properties of N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 90525404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).