2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide

C18H23Cl2N5OS — CID 509315

IUPAC2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCCNC2CCCCC2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H23Cl2N5OS/c19-13-8-4-9-14(20)15(13)16(26)23-18-25-24-17(27-18)22-11-5-10-21-12-6-2-1-3-7-12/h4,8-9,12,21H,1-3,5-7,10-11H2,(H,22,24)(H,23,25,26)
InChIKeyPRYCMRCGTFXEGV-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.82
Rot. Bonds8

About 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide

2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509315) has the molecular formula C18H23Cl2N5OS and a molecular weight of 428.39 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509315
Molecular FormulaC18H23Cl2N5OS
Molecular Weight428.39 g/mol
Exact Mass427.10
IUPAC Name2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCCNC2CCCCC2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H23Cl2N5OS/c19-13-8-4-9-14(20)15(13)16(26)23-18-25-24-17(27-18)22-11-5-10-21-12-6-2-1-3-7-12/h4,8-9,12,21H,1-3,5-7,10-11H2,(H,22,24)(H,23,25,26)
InChIKeyPRYCMRCGTFXEGV-UHFFFAOYSA-N
XLogP4.82
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
2-chloro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}benzamide
CID 2103737
2-chloro-N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 4826972
2,4-Dichloro-N-[5-(2-piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1409656
(S)-2-Chloro-N-(1-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)benzamide
CID 2476184
2-chloro-N-[3-oxo-3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 4826879
2-Chloro-N-(5-cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1462701
N-{5-[Benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-chlorobenzamide
CID 16017548
2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509310
2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509334
2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509341
2,6-dichloro-N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509348

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 509315) is 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCCCNC2CCCCC2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is PRYCMRCGTFXEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N5OS/c19-13-8-4-9-14(20)15(13)16(26)23-18-25-24-17(27-18)22-11-5-10-21-12-6-2-1-3-7-12/h4,8-9,12,21H,1-3,5-7,10-11H2,(H,22,24)(H,23,25,26).
What are the key properties of 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 428.39 g/mol, XLogP of 4.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).