3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide

C21H24ClN5OS — CID 3360923

IUPAC3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(CCC(=O)NCc1ccccn1)c1nc(Cc2ccc(Cl)cc2)ns1
InChIInChI=1S/C21H24ClN5OS/c1-15(2)27(12-10-20(28)24-14-18-5-3-4-11-23-18)21-25-19(26-29-21)13-16-6-8-17(22)9-7-16/h3-9,11,15H,10,12-14H2,1-2H3,(H,24,28)
InChIKeyZOVXIPVDRYEXES-UHFFFAOYSA-N
MW429.98 g/mol
LogP4.10
Rot. Bonds9

About 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide

3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3360923) has the molecular formula C21H24ClN5OS and a molecular weight of 429.98 g/mol. Its IUPAC name is 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3360923
Molecular FormulaC21H24ClN5OS
Molecular Weight429.98 g/mol
Exact Mass429.14
IUPAC Name3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(CCC(=O)NCc1ccccn1)c1nc(Cc2ccc(Cl)cc2)ns1
InChIInChI=1S/C21H24ClN5OS/c1-15(2)27(12-10-20(28)24-14-18-5-3-4-11-23-18)21-25-19(26-29-21)13-16-6-8-17(22)9-7-16/h3-9,11,15H,10,12-14H2,1-2H3,(H,24,28)
InChIKeyZOVXIPVDRYEXES-UHFFFAOYSA-N
XLogP4.10
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.98
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(2-pyridin-2-ylethyl)propanamide
CID 3627681
2-[3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanoylamino]ethyl-dimethylazanium
CID 7362368
N-benzyl-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide
CID 3297445
3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 3300151
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-pentylpropanamide
CID 3406712
N-(1,2-diphenylethyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide
CID 3970158
3-[[(2S)-butan-2-yl]-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(furan-2-ylmethyl)propanamide
CID 7236814
1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42775734
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 5024625
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide (CID 3360923) is 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide is CC(C)N(CCC(=O)NCc1ccccn1)c1nc(Cc2ccc(Cl)cc2)ns1.
What is the InChIKey of 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ZOVXIPVDRYEXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5OS/c1-15(2)27(12-10-20(28)24-14-18-5-3-4-11-23-18)21-25-19(26-29-21)13-16-6-8-17(22)9-7-16/h3-9,11,15H,10,12-14H2,1-2H3,(H,24,28).
What are the key properties of 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide?
3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 429.98 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3360923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).