N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

C19H26ClN5O2S — CID 110278461

IUPACN'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H26ClN5O2S/c1-4-18-23-24-19(28-18)22-17(27)10-9-16(26)21-15(11-12-25(2)3)13-5-7-14(20)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,21,26)(H,22,24,27)
InChIKeyZQTPZNUXHFINFX-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.28
Rot. Bonds10

About N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 110278461) has the molecular formula C19H26ClN5O2S and a molecular weight of 423.97 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID110278461
Molecular FormulaC19H26ClN5O2S
Molecular Weight423.97 g/mol
Exact Mass423.15
IUPAC NameN'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H26ClN5O2S/c1-4-18-23-24-19(28-18)22-17(27)10-9-16(26)21-15(11-12-25(2)3)13-5-7-14(20)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,21,26)(H,22,24,27)
InChIKeyZQTPZNUXHFINFX-UHFFFAOYSA-N
XLogP3.28
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278509
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 110278571
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
CID 110278624
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
CID 110278622
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
4-chloro-N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42904833
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75358387
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 110278461) is N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is CCc1nnc(NC(=O)CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)s1.
What is the InChIKey of N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is ZQTPZNUXHFINFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O2S/c1-4-18-23-24-19(28-18)22-17(27)10-9-16(26)21-15(11-12-25(2)3)13-5-7-14(20)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,21,26)(H,22,24,27).
What are the key properties of N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 423.97 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 110278461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).