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

C17H13Cl2N3OS — CID 1103113

IUPAC2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3OS/c18-12-7-8-13(14(19)10-12)16(23)20-17-22-21-15(24-17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23)
InChIKeyBVZCHEPRCHHCRQ-UHFFFAOYSA-N
MW378.28 g/mol
LogP4.88
Rot. Bonds5

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

2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1103113) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1103113
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3OS/c18-12-7-8-13(14(19)10-12)16(23)20-17-22-21-15(24-17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23)
InChIKeyBVZCHEPRCHHCRQ-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1103113) is 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is BVZCHEPRCHHCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c18-12-7-8-13(14(19)10-12)16(23)20-17-22-21-15(24-17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23).
What are the key properties of 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 378.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1103113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).