1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea

C10H15F3N4OS — CID 47073585

IUPAC1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea
SMILESCc1nnc(NC(=O)N(CC(C)C)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4OS/c1-6(2)4-17(5-10(11,12)13)9(18)14-8-16-15-7(3)19-8/h6H,4-5H2,1-3H3,(H,14,16,18)
InChIKeyVLYDIUQNQHOKHJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.90
Rot. Bonds4

About 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea

1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea (PubChem CID 47073585) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea
PubChem CID47073585
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea
SMILESCc1nnc(NC(=O)N(CC(C)C)CC(F)(F)F)s1
InChIInChI=1S/C10H15F3N4OS/c1-6(2)4-17(5-10(11,12)13)9(18)14-8-16-15-7(3)19-8/h6H,4-5H2,1-3H3,(H,14,16,18)
InChIKeyVLYDIUQNQHOKHJ-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1,1-Dimethyl-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 13850198
3-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
CID 86768814
1-Ethyl-3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 13229754
1-Ethyl-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea
CID 13650806
1-Propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 13650807
1-Propan-2-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 13650808
3-Butyl-1-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 20189784
1-Butyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 86205950
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45820983
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45821330
3-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)urea
CID 47073584
3-(5-Methyl-1,3,4-thiadiazol-2-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 47085494

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea (CID 47073585) is 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea is Cc1nnc(NC(=O)N(CC(C)C)CC(F)(F)F)s1.
What is the InChIKey of 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is VLYDIUQNQHOKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-6(2)4-17(5-10(11,12)13)9(18)14-8-16-15-7(3)19-8/h6H,4-5H2,1-3H3,(H,14,16,18).
What are the key properties of 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea?
1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 296.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47073585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).