N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

C21H26N4O2S — CID 90531275

IUPACN-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)CN2CCc3nc(NC(=O)C4CCC4)sc3C2)c(C)c1
InChIInChI=1S/C21H26N4O2S/c1-13-6-7-16(14(2)10-13)22-19(26)12-25-9-8-17-18(11-25)28-21(23-17)24-20(27)15-4-3-5-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyVSFGYJUCAGSRPU-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.50
Rot. Bonds5

About N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (PubChem CID 90531275) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
PubChem CID90531275
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)CN2CCc3nc(NC(=O)C4CCC4)sc3C2)c(C)c1
InChIInChI=1S/C21H26N4O2S/c1-13-6-7-16(14(2)10-13)22-19(26)12-25-9-8-17-18(11-25)28-21(23-17)24-20(27)15-4-3-5-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyVSFGYJUCAGSRPU-UHFFFAOYSA-N
XLogP3.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 90529497
N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531346
N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531343
N-[5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531360
N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532142
N-[5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531362
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525745
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531357
N-[5-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525763
N-(5-propanoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutanecarboxamide
CID 90531074
N-[5-[2-(4-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532137
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (CID 90531275) is N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)C4CCC4)sc3C2)c(C)c1.
What is the InChIKey of N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The InChIKey is VSFGYJUCAGSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-13-6-7-16(14(2)10-13)22-19(26)12-25-9-8-17-18(11-25)28-21(23-17)24-20(27)15-4-3-5-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 90531275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).