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

C10H11F3N6OS — CID 75418910

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCc1nnc(CNC(=O)Nc2nc(C(F)(F)F)cs2)n1C
InChIInChI=1S/C10H11F3N6OS/c1-5-17-18-7(19(5)2)3-14-8(20)16-9-15-6(4-21-9)10(11,12)13/h4H,3H2,1-2H3,(H2,14,15,16,20)
InChIKeyXGGKMEIFQAPIDM-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.92
Rot. Bonds3

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

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 75418910) has the molecular formula C10H11F3N6OS and a molecular weight of 320.30 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID75418910
Molecular FormulaC10H11F3N6OS
Molecular Weight320.30 g/mol
Exact Mass320.07
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCc1nnc(CNC(=O)Nc2nc(C(F)(F)F)cs2)n1C
InChIInChI=1S/C10H11F3N6OS/c1-5-17-18-7(19(5)2)3-14-8(20)16-9-15-6(4-21-9)10(11,12)13/h4H,3H2,1-2H3,(H2,14,15,16,20)
InChIKeyXGGKMEIFQAPIDM-UHFFFAOYSA-N
XLogP1.92
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-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

Related Compounds

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615766
3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074704
1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874909
2-benzyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111689190
1-(1,3-dimethylpyrazol-4-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 126784097
1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 11174547
1-(3-ethyl-2-hydroxypentyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111450720
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111689498
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
CID 133365985
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 43068585
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863556

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 75418910) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is Cc1nnc(CNC(=O)Nc2nc(C(F)(F)F)cs2)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is XGGKMEIFQAPIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6OS/c1-5-17-18-7(19(5)2)3-14-8(20)16-9-15-6(4-21-9)10(11,12)13/h4H,3H2,1-2H3,(H2,14,15,16,20).
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 320.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 75418910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).