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

C19H15F6N3OS — CID 3369494

IUPAC1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea
SMILESCC1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C19H15F6N3OS/c1-11-10-26-17(30-11)28(15-7-3-5-13(9-15)19(23,24)25)16(29)27-14-6-2-4-12(8-14)18(20,21)22/h2-9,11H,10H2,1H3,(H,27,29)
InChIKeyDYJZWYIZECAYOR-UHFFFAOYSA-N
MW447.40 g/mol
LogP6.25
Rot. Bonds2

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

1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea (PubChem CID 3369494) has the molecular formula C19H15F6N3OS and a molecular weight of 447.40 g/mol. Its IUPAC name is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea
PubChem CID3369494
Molecular FormulaC19H15F6N3OS
Molecular Weight447.40 g/mol
Exact Mass447.08
IUPAC Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea
SMILESCC1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C19H15F6N3OS/c1-11-10-26-17(30-11)28(15-7-3-5-13(9-15)19(23,24)25)16(29)27-14-6-2-4-12(8-14)18(20,21)22/h2-9,11H,10H2,1H3,(H,27,29)
InChIKeyDYJZWYIZECAYOR-UHFFFAOYSA-N
XLogP6.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.40
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea
CID 42587045
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea
CID 2729364
1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 174764880
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
1-[(2S)-butan-2-yl]-1-[4-[[(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 98133141
3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 67115009
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea (CID 3369494) is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea is CC1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea?
The InChIKey is DYJZWYIZECAYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3OS/c1-11-10-26-17(30-11)28(15-7-3-5-13(9-15)19(23,24)25)16(29)27-14-6-2-4-12(8-14)18(20,21)22/h2-9,11H,10H2,1H3,(H,27,29).
What are the key properties of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea?
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea has a molecular weight of 447.40 g/mol, XLogP of 6.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 3369494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).