1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

C10H10F3N5OS2 — CID 71992778

About 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 71992778) has the molecular formula C10H10F3N5OS2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
• PubChem CID: 71992778
• Molecular Formula: C10H10F3N5OS2
• Molecular Weight: 337.35 g/mol
• Exact Mass: 337.03
• IUPAC Name: 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
• SMILES: Cc1cnc(CCNC(=O)Nc2nnc(C(F)(F)F)s2)s1
• InChI: InChI=1S/C10H10F3N5OS2/c1-5-4-15-6(20-5)2-3-14-8(19)16-9-18-17-7(21-9)10(11,12)13/h4H,2-3H2,1H3,(H2,14,16,18,19)
• InChIKey: UNHFECFUQDASTH-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.35
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?

The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 71992778) is 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?

The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is Cc1cnc(CCNC(=O)Nc2nnc(C(F)(F)F)s2)s1.

What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?

The InChIKey is UNHFECFUQDASTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS2/c1-5-4-15-6(20-5)2-3-14-8(19)16-9-18-17-7(21-9)10(11,12)13/h4H,2-3H2,1H3,(H2,14,16,18,19).

What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?

1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 337.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 71992778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).