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

C14H10F3N5O2S — CID 167819469

IUPAC1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCc1ccc(-c2ncco2)cc1NC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3N5O2S/c1-7-2-3-8(10-18-4-5-24-10)6-9(7)19-12(23)20-13-22-21-11(25-13)14(15,16)17/h2-6H,1H3,(H2,19,20,22,23)
InChIKeyPSIUHBDRHVLCJV-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.16
Rot. Bonds3

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

1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 167819469) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID167819469
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC Name1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCc1ccc(-c2ncco2)cc1NC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3N5O2S/c1-7-2-3-8(10-18-4-5-24-10)6-9(7)19-12(23)20-13-22-21-11(25-13)14(15,16)17/h2-6H,1H3,(H2,19,20,22,23)
InChIKeyPSIUHBDRHVLCJV-UHFFFAOYSA-N
XLogP4.16
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 167819469) is 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is Cc1ccc(-c2ncco2)cc1NC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is PSIUHBDRHVLCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c1-7-2-3-8(10-18-4-5-24-10)6-9(7)19-12(23)20-13-22-21-11(25-13)14(15,16)17/h2-6H,1H3,(H2,19,20,22,23).
What are the key properties of 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 369.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 167819469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).