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

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

N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide (PubChem CID 58893955) has the molecular formula C21H27ClN6O3S and a molecular weight of 479.01 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide.

Molecular Properties

Compound Name	N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide
PubChem CID	58893955
Molecular Formula	C21H27ClN6O3S
Molecular Weight	479.01 g/mol
Exact Mass	478.16
IUPAC Name	N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide
SMILES	CC(C)CC(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1nc2c(s1)CN(C)CC2
InChI	InChI=1S/C21H27ClN6O3S/c1-12(2)8-14(10-24-18(29)19(30)27-17-5-4-13(22)9-23-17)25-20(31)21-26-15-6-7-28(3)11-16(15)32-21/h4-5,9,12,14H,6-8,10-11H2,1-3H3,(H,24,29)(H,25,31)(H,23,27,30)
InChIKey	VCUMSLGKELAIHT-UHFFFAOYSA-N
XLogP	2.08
TPSA	116.32 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.01
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide?

The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide (CID 58893955) is N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide.

What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide?

The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide is CC(C)CC(CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)c1nc2c(s1)CN(C)CC2.

What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide?

The InChIKey is VCUMSLGKELAIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O3S/c1-12(2)8-14(10-24-18(29)19(30)27-17-5-4-13(22)9-23-17)25-20(31)21-26-15-6-7-28(3)11-16(15)32-21/h4-5,9,12,14H,6-8,10-11H2,1-3H3,(H,24,29)(H,25,31)(H,23,27,30).

What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide?

N'-(5-chloro-2-pyridinyl)-N-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide has a molecular weight of 479.01 g/mol, XLogP of 2.08, 7 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-[4-methyl-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]pentyl]oxamide is sourced from PubChem (CID 58893955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).