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

C18H15F3N4OS — CID 3654278

IUPAC1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCNc1nc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)cs1
InChIInChI=1S/C18H15F3N4OS/c1-22-17-25-15(10-27-17)11-3-2-4-14(9-11)24-16(26)23-13-7-5-12(6-8-13)18(19,20)21/h2-10H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyLVYREIUPMACQFH-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.51
Rot. Bonds4

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

1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 3654278) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID3654278
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCNc1nc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)cs1
InChIInChI=1S/C18H15F3N4OS/c1-22-17-25-15(10-27-17)11-3-2-4-14(9-11)24-16(26)23-13-7-5-12(6-8-13)18(19,20)21/h2-10H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyLVYREIUPMACQFH-UHFFFAOYSA-N
XLogP5.51
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 42764148
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3443963
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 28865303
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 3654278) is 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is CNc1nc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)cs1.
What is the InChIKey of 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is LVYREIUPMACQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c1-22-17-25-15(10-27-17)11-3-2-4-14(9-11)24-16(26)23-13-7-5-12(6-8-13)18(19,20)21/h2-10H,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 392.41 g/mol, XLogP of 5.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 3654278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).