2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

C17H14Cl2N4OS — CID 509775

IUPAC2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4OS/c18-12-6-7-13(14(19)10-12)15(24)21-17-23-22-16(25-17)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,22)(H,21,23,24)
InChIKeyVBGOGLVGFMXQME-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.75
Rot. Bonds6

About 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509775) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509775
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC Name2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N4OS/c18-12-6-7-13(14(19)10-12)15(24)21-17-23-22-16(25-17)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,22)(H,21,23,24)
InChIKeyVBGOGLVGFMXQME-UHFFFAOYSA-N
XLogP4.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
2-chloro-N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 2192320
2-chloro-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
CID 2363161
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 5157299
N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 7946867
N-(5-{[(4-Chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)-2-methylbenzamide
CID 16023055
N-(5-(3-chlorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 44454498
N-(5-(3-chlorobenzylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
CID 44454722
2-chloro-N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 4826972
2,6-dichloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458577
2,4-Dichloro-N-[5-(2-piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1409656

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 509775) is 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is VBGOGLVGFMXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c18-12-6-7-13(14(19)10-12)15(24)21-17-23-22-16(25-17)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,22)(H,21,23,24).
What are the key properties of 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 393.30 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).