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

N'-(5-chlorothiophen-2-yl)-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 58893808) has the molecular formula C19H23ClN6O4S2 and a molecular weight of 499.02 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)-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'-(5-chlorothiophen-2-yl)-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	58893808
Molecular Formula	C19H23ClN6O4S2
Molecular Weight	499.02 g/mol
Exact Mass	498.09
IUPAC Name	N'-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILES	CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)s3)C(=O)N(C)C)sc2C1
InChI	InChI=1S/C19H23ClN6O4S2/c1-25(2)19(30)11(8-21-15(27)16(28)24-14-5-4-13(20)32-14)22-17(29)18-23-10-6-7-26(3)9-12(10)31-18/h4-5,11H,6-9H2,1-3H3,(H,21,27)(H,22,29)(H,24,28)
InChIKey	RRBFIKYWOBOQIV-UHFFFAOYSA-N
XLogP	0.79
TPSA	123.74 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.02
LogP ≤ 5	0.79
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'-(5-chlorothiophen-2-yl)-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'-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 58893808) is N'-(5-chlorothiophen-2-yl)-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'-(5-chlorothiophen-2-yl)-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'-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)s3)C(=O)N(C)C)sc2C1.

What is the InChIKey of N'-(5-chlorothiophen-2-yl)-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 RRBFIKYWOBOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O4S2/c1-25(2)19(30)11(8-21-15(27)16(28)24-14-5-4-13(20)32-14)22-17(29)18-23-10-6-7-26(3)9-12(10)31-18/h4-5,11H,6-9H2,1-3H3,(H,21,27)(H,22,29)(H,24,28).

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

N'-(5-chlorothiophen-2-yl)-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 499.02 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chlorothiophen-2-yl)-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 58893808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).