(4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone

C15H10ClN3OS — CID 73295560

IUPAC(4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Nc2nncs2)cc1
InChIInChI=1S/C15H10ClN3OS/c16-12-5-1-10(2-6-12)14(20)11-3-7-13(8-4-11)18-15-19-17-9-21-15/h1-9H,(H,18,19)
InChIKeyMETQSAABMLHWQI-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.17
Rot. Bonds4

About (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone

(4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone (PubChem CID 73295560) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone
PubChem CID73295560
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name(4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Nc2nncs2)cc1
InChIInChI=1S/C15H10ClN3OS/c16-12-5-1-10(2-6-12)14(20)11-3-7-13(8-4-11)18-15-19-17-9-21-15/h1-9H,(H,18,19)
InChIKeyMETQSAABMLHWQI-UHFFFAOYSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 9977034
4-(1,3,4-Thiadiazol-2-ylamino)benzaldehyde
CID 76320344
[4-Chloro-3-(trifluoromethyl)phenyl]-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone
CID 73295564
1-(4-Chlorophenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 4612864
1-(2-Chlorophenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 8674177
2-[[5-(3-Chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CID 8675434
2-[[5-(3-Chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-fluorophenyl)ethanone
CID 8675477
2-[[5-(3-Chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,5-difluorophenyl)ethanone
CID 8675518
2-[[5-(3-Chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3-fluorophenyl)ethanone
CID 8677208
1-(4-Chlorophenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 40700545
4-chloro-N-(5-((2-((4-ethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 2295327
(4-Chloro-3-methylphenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone
CID 118230856

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone (CID 73295560) is (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(Nc2nncs2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone?
The InChIKey is METQSAABMLHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-12-5-1-10(2-6-12)14(20)11-3-7-13(8-4-11)18-15-19-17-9-21-15/h1-9H,(H,18,19).
What are the key properties of (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone?
(4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone has a molecular weight of 315.79 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(1,3,4-thiadiazol-2-ylamino)phenyl]methanone is sourced from PubChem (CID 73295560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).