1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea

C18H13F3N2OS — CID 174764880

IUPAC1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N(c1ccccc1)c1ccsc1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)13-5-4-6-14(11-13)22-17(24)23(16-9-10-25-12-16)15-7-2-1-3-8-15/h1-12H,(H,22,24)
InChIKeyIQGHKVZJGRRXKW-UHFFFAOYSA-N
MW362.38 g/mol
LogP6.14
Rot. Bonds3

About 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea

1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 174764880) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID174764880
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N(c1ccccc1)c1ccsc1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)13-5-4-6-14(11-13)22-17(24)23(16-9-10-25-12-16)15-7-2-1-3-8-15/h1-12H,(H,22,24)
InChIKeyIQGHKVZJGRRXKW-UHFFFAOYSA-N
XLogP6.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-1-thiophen-3-yl-3-[3-(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

Related Compounds

1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 174764885
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea
CID 3369494
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 61182416
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea (CID 174764880) is 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)N(c1ccccc1)c1ccsc1.
What is the InChIKey of 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is IQGHKVZJGRRXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)13-5-4-6-14(11-13)22-17(24)23(16-9-10-25-12-16)15-7-2-1-3-8-15/h1-12H,(H,22,24).
What are the key properties of 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 362.38 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 174764880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).