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

C10H10F3N5OS2 — CID 138043052

IUPAC1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC(C)(NC(=O)Nc1nnc(C(F)(F)F)s1)c1nccs1
InChIInChI=1S/C10H10F3N5OS2/c1-9(2,5-14-3-4-20-5)16-7(19)15-8-18-17-6(21-8)10(11,12)13/h3-4H,1-2H3,(H2,15,16,18,19)
InChIKeyGMROJSGIJZBVDW-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.07
Rot. Bonds3

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

1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 138043052) has the molecular formula C10H10F3N5OS2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID138043052
Molecular FormulaC10H10F3N5OS2
Molecular Weight337.35 g/mol
Exact Mass337.03
IUPAC Name1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC(C)(NC(=O)Nc1nnc(C(F)(F)F)s1)c1nccs1
InChIInChI=1S/C10H10F3N5OS2/c1-9(2,5-14-3-4-20-5)16-7(19)15-8-18-17-6(21-8)10(11,12)13/h3-4H,1-2H3,(H2,15,16,18,19)
InChIKeyGMROJSGIJZBVDW-UHFFFAOYSA-N
XLogP3.07
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 138043052) is 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is CC(C)(NC(=O)Nc1nnc(C(F)(F)F)s1)c1nccs1.
What is the InChIKey of 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is GMROJSGIJZBVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS2/c1-9(2,5-14-3-4-20-5)16-7(19)15-8-18-17-6(21-8)10(11,12)13/h3-4H,1-2H3,(H2,15,16,18,19).
What are the key properties of 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 337.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-yl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 138043052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).