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

C14H14ClN5O2S — CID 108520447

IUPACN-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCN1CCc2nc(NC(=O)C(=O)Nc3cccnc3Cl)sc2C1
InChIInChI=1S/C14H14ClN5O2S/c1-20-6-4-8-10(7-20)23-14(18-8)19-13(22)12(21)17-9-3-2-5-16-11(9)15/h2-3,5H,4,6-7H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyXEOGYIAWIBYLSU-UHFFFAOYSA-N
MW351.82 g/mol
LogP1.76
Rot. Bonds2

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

N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (PubChem CID 108520447) has the molecular formula C14H14ClN5O2S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
PubChem CID108520447
Molecular FormulaC14H14ClN5O2S
Molecular Weight351.82 g/mol
Exact Mass351.06
IUPAC NameN-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
SMILESCN1CCc2nc(NC(=O)C(=O)Nc3cccnc3Cl)sc2C1
InChIInChI=1S/C14H14ClN5O2S/c1-20-6-4-8-10(7-20)23-14(18-8)19-13(22)12(21)17-9-3-2-5-16-11(9)15/h2-3,5H,4,6-7H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyXEOGYIAWIBYLSU-UHFFFAOYSA-N
XLogP1.76
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-pyridin-2-yloxamide
CID 108525921
N-(4-iodophenyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108529188
N-cyclopentyl-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108506003
N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108523995
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517269
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 46663904
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421659
2-(2-chlorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide
CID 51295002
5-(4-chlorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 35340823
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-thiomorpholin-4-ylacetamide
CID 100741040
1-[(4-chlorophenyl)methyl]-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108899284

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide (CID 108520447) is N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is CN1CCc2nc(NC(=O)C(=O)Nc3cccnc3Cl)sc2C1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
The InChIKey is XEOGYIAWIBYLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S/c1-20-6-4-8-10(7-20)23-14(18-8)19-13(22)12(21)17-9-3-2-5-16-11(9)15/h2-3,5H,4,6-7H2,1H3,(H,17,21)(H,18,19,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide?
N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide has a molecular weight of 351.82 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide is sourced from PubChem (CID 108520447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).