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

C15H10F3N5OS — CID 166962966

IUPAC1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)10-1-3-11(4-2-10)20-13(24)21-14-23-22-12(25-14)9-5-7-19-8-6-9/h1-8H,(H2,20,21,23,24)
InChIKeyBBLKGBHRBXFWHD-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.26
Rot. Bonds3

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

1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 166962966) has the molecular formula C15H10F3N5OS and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID166962966
Molecular FormulaC15H10F3N5OS
Molecular Weight365.34 g/mol
Exact Mass365.06
IUPAC Name1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)10-1-3-11(4-2-10)20-13(24)21-14-23-22-12(25-14)9-5-7-19-8-6-9/h1-8H,(H2,20,21,23,24)
InChIKeyBBLKGBHRBXFWHD-UHFFFAOYSA-N
XLogP4.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 166962983
1-(4-bromo-3-cyanophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 71607477
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 166962975
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
1-(3,4-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 931488
1-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 15993448
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
1-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 4279080
1-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 175678594
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 166962966) is 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is BBLKGBHRBXFWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5OS/c16-15(17,18)10-1-3-11(4-2-10)20-13(24)21-14-23-22-12(25-14)9-5-7-19-8-6-9/h1-8H,(H2,20,21,23,24).
What are the key properties of 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 365.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 166962966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).