1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea

C14H17N5OS2 — CID 71549283

About 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea

1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea (PubChem CID 71549283) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
• PubChem CID: 71549283
• Molecular Formula: C14H17N5OS2
• Molecular Weight: 335.46 g/mol
• Exact Mass: 335.09
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
• SMILES: Cc1nc2c(ccc3nc(NC(=O)NCCN(C)C)sc32)s1
• InChI: InChI=1S/C14H17N5OS2/c1-8-16-11-10(21-8)5-4-9-12(11)22-14(17-9)18-13(20)15-6-7-19(2)3/h4-5H,6-7H2,1-3H3,(H2,15,17,18,20)
• InChIKey: HORUPPJGOWQYBQ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.46
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea (CID 71549283) is 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea is Cc1nc2c(ccc3nc(NC(=O)NCCN(C)C)sc32)s1.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?

The InChIKey is HORUPPJGOWQYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c1-8-16-11-10(21-8)5-4-9-12(11)22-14(17-9)18-13(20)15-6-7-19(2)3/h4-5H,6-7H2,1-3H3,(H2,15,17,18,20).

What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea?

1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea has a molecular weight of 335.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea is sourced from PubChem (CID 71549283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).