N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide

C23H24ClN3O3S — CID 42152830

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1OC
InChIInChI=1S/C23H24ClN3O3S/c1-3-30-21-17(24)11-16(12-19(21)29-2)22(28)26-23-25-18-9-10-27(14-20(18)31-23)13-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H,25,26,28)
InChIKeyTXBNUVNBNASGRE-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.01
Rot. Bonds7

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide (PubChem CID 42152830) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide
PubChem CID42152830
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1OC
InChIInChI=1S/C23H24ClN3O3S/c1-3-30-21-17(24)11-16(12-19(21)29-2)22(28)26-23-25-18-9-10-27(14-20(18)31-23)13-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H,25,26,28)
InChIKeyTXBNUVNBNASGRE-UHFFFAOYSA-N
XLogP5.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 2382313
3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide
CID 29412667
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
CID 24599368
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)-2,5-dichlorobenzamide
CID 16547111
N-[5-[(3,5-dimethoxyphenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528602
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-bromopyridine-3-carboxamide
CID 17390840
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
ethyl 4-[4-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 44976448
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16547130
3,4-dimethoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976267

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide (CID 42152830) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1OC.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide?
The InChIKey is TXBNUVNBNASGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-3-30-21-17(24)11-16(12-19(21)29-2)22(28)26-23-25-18-9-10-27(14-20(18)31-23)13-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H,25,26,28).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide has a molecular weight of 457.98 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 42152830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).