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

C11H15F3N4OS — CID 47197684

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCc1nnc(NC(=O)NC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N4OS/c1-6-17-18-10(20-6)16-9(19)15-8-4-2-7(3-5-8)11(12,13)14/h7-8H,2-5H2,1H3,(H2,15,16,18,19)
InChIKeyVPPPNHFYGLAWLD-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.09
Rot. Bonds2

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

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 47197684) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID47197684
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCc1nnc(NC(=O)NC2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N4OS/c1-6-17-18-10(20-6)16-9(19)15-8-4-2-7(3-5-8)11(12,13)14/h7-8H,2-5H2,1H3,(H2,15,16,18,19)
InChIKeyVPPPNHFYGLAWLD-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]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-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 47197684) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea is Cc1nnc(NC(=O)NC2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is VPPPNHFYGLAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-6-17-18-10(20-6)16-9(19)15-8-4-2-7(3-5-8)11(12,13)14/h7-8H,2-5H2,1H3,(H2,15,16,18,19).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 308.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 47197684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).