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

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

N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (PubChem CID 58893870) has the molecular formula C22H27ClN6O5S and a molecular weight of 523.02 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

Molecular Properties

Compound Name	N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
PubChem CID	58893870
Molecular Formula	C22H27ClN6O5S
Molecular Weight	523.02 g/mol
Exact Mass	522.15
IUPAC Name	N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILES	COc1cc(Cl)ccc1NC(=O)C(=O)NCC(NC(=O)c1nc2c(s1)CN(C)CC2)C(=O)N(C)C
InChI	InChI=1S/C22H27ClN6O5S/c1-28(2)22(33)15(26-20(32)21-27-14-7-8-29(3)11-17(14)35-21)10-24-18(30)19(31)25-13-6-5-12(23)9-16(13)34-4/h5-6,9,15H,7-8,10-11H2,1-4H3,(H,24,30)(H,25,31)(H,26,32)
InChIKey	VMNCOALCVDCGAP-UHFFFAOYSA-N
XLogP	0.73
TPSA	132.97 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.02
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 58893870) is N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

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

The canonical SMILES for N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is COc1cc(Cl)ccc1NC(=O)C(=O)NCC(NC(=O)c1nc2c(s1)CN(C)CC2)C(=O)N(C)C.

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

The InChIKey is VMNCOALCVDCGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O5S/c1-28(2)22(33)15(26-20(32)21-27-14-7-8-29(3)11-17(14)35-21)10-24-18(30)19(31)25-13-6-5-12(23)9-16(13)34-4/h5-6,9,15H,7-8,10-11H2,1-4H3,(H,24,30)(H,25,31)(H,26,32).

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

N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide has a molecular weight of 523.02 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is sourced from PubChem (CID 58893870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).