N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C18H19N5O2S2 — CID 121128318

About N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128318) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• PubChem CID: 121128318
• Molecular Formula: C18H19N5O2S2
• Molecular Weight: 401.52 g/mol
• Exact Mass: 401.10
• IUPAC Name: N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• SMILES: CNC(=O)Cc1csc(NC(=O)C2CN(c3nc4ccc(C)cc4s3)C2)n1
• InChI: InChI=1S/C18H19N5O2S2/c1-10-3-4-13-14(5-10)27-18(21-13)23-7-11(8-23)16(25)22-17-20-12(9-26-17)6-15(24)19-2/h3-5,9,11H,6-8H2,1-2H3,(H,19,24)(H,20,22,25)
• InChIKey: DAVUEETVANSGAG-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.52
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128318) is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is CNC(=O)Cc1csc(NC(=O)C2CN(c3nc4ccc(C)cc4s3)C2)n1.

What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The InChIKey is DAVUEETVANSGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c1-10-3-4-13-14(5-10)27-18(21-13)23-7-11(8-23)16(25)22-17-20-12(9-26-17)6-15(24)19-2/h3-5,9,11H,6-8H2,1-2H3,(H,19,24)(H,20,22,25).

What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 401.52 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).