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

C17H19ClN6O3S — CID 10251693

IUPACN'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide
SMILESCN1CCc2nc(C(=O)NCCNC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
InChIInChI=1S/C17H19ClN6O3S/c1-24-7-4-11-12(9-24)28-17(22-11)16(27)20-6-5-19-14(25)15(26)23-13-3-2-10(18)8-21-13/h2-3,8H,4-7,9H2,1H3,(H,19,25)(H,20,27)(H,21,23,26)
InChIKeyBTNQPAJJNGFTSH-UHFFFAOYSA-N
MW422.90 g/mol
LogP0.66
Rot. Bonds5

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

N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide (PubChem CID 10251693) has the molecular formula C17H19ClN6O3S and a molecular weight of 422.90 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide
PubChem CID10251693
Molecular FormulaC17H19ClN6O3S
Molecular Weight422.90 g/mol
Exact Mass422.09
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide
SMILESCN1CCc2nc(C(=O)NCCNC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
InChIInChI=1S/C17H19ClN6O3S/c1-24-7-4-11-12(9-24)28-17(22-11)16(27)20-6-5-19-14(25)15(26)23-13-3-2-10(18)8-21-13/h2-3,8H,4-7,9H2,1H3,(H,19,25)(H,20,27)(H,21,23,26)
InChIKeyBTNQPAJJNGFTSH-UHFFFAOYSA-N
XLogP0.66
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide (CID 10251693) is N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide is CN1CCc2nc(C(=O)NCCNC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide?
The InChIKey is BTNQPAJJNGFTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O3S/c1-24-7-4-11-12(9-24)28-17(22-11)16(27)20-6-5-19-14(25)15(26)23-13-3-2-10(18)8-21-13/h2-3,8H,4-7,9H2,1H3,(H,19,25)(H,20,27)(H,21,23,26).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide has a molecular weight of 422.90 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]ethyl]oxamide is sourced from PubChem (CID 10251693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).