1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea

C15H10ClFN4OS — CID 744032

IUPAC1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C15H10ClFN4OS/c16-10-4-6-12(7-5-10)18-14(22)19-15-21-20-13(23-15)9-2-1-3-11(17)8-9/h1-8H,(H2,18,19,21,22)
InChIKeyNUSWELGMOFUJOP-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.64
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea

1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 744032) has the molecular formula C15H10ClFN4OS and a molecular weight of 348.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID744032
Molecular FormulaC15H10ClFN4OS
Molecular Weight348.79 g/mol
Exact Mass348.02
IUPAC Name1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C15H10ClFN4OS/c16-10-4-6-12(7-5-10)18-14(22)19-15-21-20-13(23-15)9-2-1-3-11(17)8-9/h1-8H,(H2,18,19,21,22)
InChIKeyNUSWELGMOFUJOP-UHFFFAOYSA-N
XLogP4.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 134095579
2-[(4-chlorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3562395
1-(3,4-difluorophenyl)-3-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 166962849
1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1385010
1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874332
(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 139078628
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
1-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 15993448
1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1335320

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea (CID 744032) is 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is NUSWELGMOFUJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4OS/c16-10-4-6-12(7-5-10)18-14(22)19-15-21-20-13(23-15)9-2-1-3-11(17)8-9/h1-8H,(H2,18,19,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea?
1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 348.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 744032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).