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

C14H14F3N3O3S — CID 10067136

IUPAC1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H14F3N3O3S/c1-7-6-18-13(24-7)20-12(21)19-9-4-8(14(15,16)17)10(22-2)5-11(9)23-3/h4-6H,1-3H3,(H2,18,19,20,21)
InChIKeyORLQOTXZCIECHP-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.13
Rot. Bonds4

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

1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 10067136) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID10067136
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H14F3N3O3S/c1-7-6-18-13(24-7)20-12(21)19-9-4-8(14(15,16)17)10(22-2)5-11(9)23-3/h4-6H,1-3H3,(H2,18,19,20,21)
InChIKeyORLQOTXZCIECHP-UHFFFAOYSA-N
XLogP4.13
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 10067136) is 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is COc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1ncc(C)s1.
What is the InChIKey of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is ORLQOTXZCIECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-7-6-18-13(24-7)20-12(21)19-9-4-8(14(15,16)17)10(22-2)5-11(9)23-3/h4-6H,1-3H3,(H2,18,19,20,21).
What are the key properties of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 361.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 10067136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).