(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea

C18H14F3N3OS — CID 87638117

IUPAC(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H14F3N3OS/c1-12-11-24(15-9-7-13(8-10-15)18(19,20)21)17(26-12)23-16(25)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,25)/b23-17-
InChIKeyPFWVLDGHCKKFTA-QJOMJCCJSA-N
MW377.39 g/mol
LogP5.00
Rot. Bonds2

About (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea

(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea (PubChem CID 87638117) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea.

Molecular Properties

Compound Name(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea
PubChem CID87638117
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H14F3N3OS/c1-12-11-24(15-9-7-13(8-10-15)18(19,20)21)17(26-12)23-16(25)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,25)/b23-17-
InChIKeyPFWVLDGHCKKFTA-QJOMJCCJSA-N
XLogP5.00
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-(2-pyridin-2-ylethyl)urea
CID 68969205
1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-(2-pyridin-3-ylethyl)urea
CID 68970120
(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 87637179
(3Z)-1-[2-(dimethylamino)ethyl]-1-methyl-3-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]urea
CID 87449945
(NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide
CID 87450752
(1Z)-1-(1-phenylpyridazin-4-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
CID 21246254
1-(1-hydroxy-2-methyl-4-pyridinylidene)-3-phenylurea
CID 54070564
1-(1-hydroxy-2-methylpropan-2-yl)-3-[5-methyl-3-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-ylidene]urea
CID 91034996
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924
(1Z)-1-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-hydroxy-4-pyridinylidene]-3-phenylurea
CID 134122504
2,2-difluoro-2-(4-methylphenyl)-N-phenylacetamide
CID 102584725

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea?
The IUPAC name of (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea (CID 87638117) is (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea.
What is the SMILES notation for (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea?
The canonical SMILES for (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea is Cc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(=O)Nc2ccccc2)s1.
What is the InChIKey of (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea?
The InChIKey is PFWVLDGHCKKFTA-QJOMJCCJSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-12-11-24(15-9-7-13(8-10-15)18(19,20)21)17(26-12)23-16(25)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,22,25)/b23-17-.
What are the key properties of (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea?
(1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea has a molecular weight of 377.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]-3-phenylurea is sourced from PubChem (CID 87638117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).