1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea

C24H15F6N3OS — CID 122286137

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H15F6N3OS/c25-23(26,27)16-10-17(24(28,29)30)12-19(11-16)32-22(34)31-18-8-4-7-15(9-18)20-13-35-21(33-20)14-5-2-1-3-6-14/h1-13H,(H2,31,32,34)
InChIKeyOMUZKHALHYEUSQ-UHFFFAOYSA-N
MW507.46 g/mol
LogP8.16
Rot. Bonds4

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea

1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 122286137) has the molecular formula C24H15F6N3OS and a molecular weight of 507.46 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID122286137
Molecular FormulaC24H15F6N3OS
Molecular Weight507.46 g/mol
Exact Mass507.08
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H15F6N3OS/c25-23(26,27)16-10-17(24(28,29)30)12-19(11-16)32-22(34)31-18-8-4-7-15(9-18)20-13-35-21(33-20)14-5-2-1-3-6-14/h1-13H,(H2,31,32,34)
InChIKeyOMUZKHALHYEUSQ-UHFFFAOYSA-N
XLogP8.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.46
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3654278
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]urea
CID 155521754
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46381159
2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 122286179

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (CID 122286137) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is OMUZKHALHYEUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3OS/c25-23(26,27)16-10-17(24(28,29)30)12-19(11-16)32-22(34)31-18-8-4-7-15(9-18)20-13-35-21(33-20)14-5-2-1-3-6-14/h1-13H,(H2,31,32,34).
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 507.46 g/mol, XLogP of 8.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 122286137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).