N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide

C18H22N4O2S — CID 108523244

IUPACN'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C18H22N4O2S/c1-3-22(11-13-7-5-4-6-8-13)17(24)16(23)20-18-19-14-9-10-21(2)12-15(14)25-18/h4-8H,3,9-12H2,1-2H3,(H,19,20,23)
InChIKeyPBQGKDPISIZGKS-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.12
Rot. Bonds4

About N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide

N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (PubChem CID 108523244) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
PubChem CID108523244
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C18H22N4O2S/c1-3-22(11-13-7-5-4-6-8-13)17(24)16(23)20-18-19-14-9-10-21(2)12-15(14)25-18/h4-8H,3,9-12H2,1-2H3,(H,19,20,23)
InChIKeyPBQGKDPISIZGKS-UHFFFAOYSA-N
XLogP2.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 47433636
4-(diethylaminomethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 55650727
N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108526707
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
N-(4-iodophenyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108529188
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
CID 31245667
benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 18278826
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108520447
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517269
1-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)indole-2-carboxamide
CID 87039803
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (CID 108523244) is N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is CCN(Cc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CN(C)CC2.
What is the InChIKey of N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The InChIKey is PBQGKDPISIZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-22(11-13-7-5-4-6-8-13)17(24)16(23)20-18-19-14-9-10-21(2)12-15(14)25-18/h4-8H,3,9-12H2,1-2H3,(H,19,20,23).
What are the key properties of N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide has a molecular weight of 358.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is sourced from PubChem (CID 108523244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).