N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

C18H16Cl2N4O3S2 — CID 39023264

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 39023264) has the molecular formula C18H16Cl2N4O3S2 and a molecular weight of 471.39 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 39023264
• Molecular Formula: C18H16Cl2N4O3S2
• Molecular Weight: 471.39 g/mol
• Exact Mass: 470.00
• IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1nc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)sc1SCC(N)=O
• InChI: InChI=1S/C18H16Cl2N4O3S2/c1-9-17(28-8-14(21)25)29-18(23-9)24-15(26)4-5-16-22-7-13(27-16)11-3-2-10(19)6-12(11)20/h2-3,6-7H,4-5,8H2,1H3,(H2,21,25)(H,23,24,26)
• InChIKey: UZKYARLKDNEWFO-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.39
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 39023264) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is Cc1nc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)sc1SCC(N)=O.

What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is UZKYARLKDNEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S2/c1-9-17(28-8-14(21)25)29-18(23-9)24-15(26)4-5-16-22-7-13(27-16)11-3-2-10(19)6-12(11)20/h2-3,6-7H,4-5,8H2,1H3,(H2,21,25)(H,23,24,26).

What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 471.39 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 39023264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).