N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide

C20H20ClN7O4S — CID 10435656

IUPACN'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide
SMILESCN1CCc2sc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)c3cnco3)nc2C1
InChIInChI=1S/C20H20ClN7O4S/c1-28-5-4-15-13(9-28)26-20(33-15)19(31)25-12(14-8-22-10-32-14)7-24-17(29)18(30)27-16-3-2-11(21)6-23-16/h2-3,6,8,10,12H,4-5,7,9H2,1H3,(H,24,29)(H,25,31)(H,23,27,30)/t12-/m0/s1
InChIKeyDMLAALXKCWZIQX-LBPRGKRZSA-N
MW489.95 g/mol
LogP1.39
Rot. Bonds6

About N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide (PubChem CID 10435656) has the molecular formula C20H20ClN7O4S and a molecular weight of 489.95 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide
PubChem CID10435656
Molecular FormulaC20H20ClN7O4S
Molecular Weight489.95 g/mol
Exact Mass489.10
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide
SMILESCN1CCc2sc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)c3cnco3)nc2C1
InChIInChI=1S/C20H20ClN7O4S/c1-28-5-4-15-13(9-28)26-20(33-15)19(31)25-12(14-8-22-10-32-14)7-24-17(29)18(30)27-16-3-2-11(21)6-23-16/h2-3,6,8,10,12H,4-5,7,9H2,1H3,(H,24,29)(H,25,31)(H,23,27,30)/t12-/m0/s1
InChIKeyDMLAALXKCWZIQX-LBPRGKRZSA-N
XLogP1.39
TPSA142.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.95
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide (CID 10435656) is N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide is CN1CCc2sc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)c3cnco3)nc2C1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
The InChIKey is DMLAALXKCWZIQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20ClN7O4S/c1-28-5-4-15-13(9-28)26-20(33-15)19(31)25-12(14-8-22-10-32-14)7-24-17(29)18(30)27-16-3-2-11(21)6-23-16/h2-3,6,8,10,12H,4-5,7,9H2,1H3,(H,24,29)(H,25,31)(H,23,27,30)/t12-/m0/s1.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide has a molecular weight of 489.95 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide is sourced from PubChem (CID 10435656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).