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

C16H12ClFN4OS — CID 1335381

IUPAC1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)Nc1ccccc1F
InChIInChI=1S/C16H12ClFN4OS/c17-11-7-5-10(6-8-11)9-14-21-22-16(24-14)20-15(23)19-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,19,20,22,23)
InChIKeyYEUKEGYZUZJKTL-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.57
Rot. Bonds4

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

1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea (PubChem CID 1335381) has the molecular formula C16H12ClFN4OS and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
PubChem CID1335381
Molecular FormulaC16H12ClFN4OS
Molecular Weight362.82 g/mol
Exact Mass362.04
IUPAC Name1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)Nc1ccccc1F
InChIInChI=1S/C16H12ClFN4OS/c17-11-7-5-10(6-8-11)9-14-21-22-16(24-14)20-15(23)19-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,19,20,22,23)
InChIKeyYEUKEGYZUZJKTL-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1075856
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1420599
1-(2-fluorophenyl)-3-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1335464
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 796709
1-(2-fluorophenyl)-3-[5-[(3-methylphenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea
CID 1414741
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 1388441
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
3-benzamido-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1302353

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea (CID 1335381) is 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea is O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)Nc1ccccc1F.
What is the InChIKey of 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea?
The InChIKey is YEUKEGYZUZJKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4OS/c17-11-7-5-10(6-8-11)9-14-21-22-16(24-14)20-15(23)19-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,19,20,22,23).
What are the key properties of 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea?
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea has a molecular weight of 362.82 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 1335381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).