1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

C16H19F3N4OS — CID 11639337

IUPAC1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)N(C)Cc1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H19F3N4OS/c1-10(2)23(3)8-13-9-25-15(21-13)22-14(24)20-12-6-4-11(5-7-12)16(17,18)19/h4-7,9-10H,8H2,1-3H3,(H2,20,21,22,24)
InChIKeyCCCSCWAISRQYOO-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.65
Rot. Bonds5

About 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 11639337) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID11639337
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)N(C)Cc1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H19F3N4OS/c1-10(2)23(3)8-13-9-25-15(21-13)22-14(24)20-12-6-4-11(5-7-12)16(17,18)19/h4-7,9-10H,8H2,1-3H3,(H2,20,21,22,24)
InChIKeyCCCSCWAISRQYOO-UHFFFAOYSA-N
XLogP4.65
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]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-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 11639337) is 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is CC(C)N(C)Cc1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is CCCSCWAISRQYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-10(2)23(3)8-13-9-25-15(21-13)22-14(24)20-12-6-4-11(5-7-12)16(17,18)19/h4-7,9-10H,8H2,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 372.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11639337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).