N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C11H10Cl2N4OS — CID 18075984

IUPACN-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCC(Sc1ncn[nH]1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N4OS/c1-6(19-11-14-5-15-17-11)10(18)16-9-4-7(12)2-3-8(9)13/h2-6H,1H3,(H,16,18)(H,14,15,17)
InChIKeyYBGQHQRBZXRXJW-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.23
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 18075984) has the molecular formula C11H10Cl2N4OS and a molecular weight of 317.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID18075984
Molecular FormulaC11H10Cl2N4OS
Molecular Weight317.20 g/mol
Exact Mass316.00
IUPAC NameN-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCC(Sc1ncn[nH]1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N4OS/c1-6(19-11-14-5-15-17-11)10(18)16-9-4-7(12)2-3-8(9)13/h2-6H,1H3,(H,16,18)(H,14,15,17)
InChIKeyYBGQHQRBZXRXJW-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-chloro-5-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 8933220
(2S)-N-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41112407
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785038
(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785065
N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 130626422
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 2488389

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 18075984) is N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is CC(Sc1ncn[nH]1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is YBGQHQRBZXRXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS/c1-6(19-11-14-5-15-17-11)10(18)16-9-4-7(12)2-3-8(9)13/h2-6H,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 317.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 18075984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).