(2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide

C14H17Cl2N5OS — CID 7743486

IUPAC(2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
SMILESCCCc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1N
InChIInChI=1S/C14H17Cl2N5OS/c1-3-4-12-19-20-14(21(12)17)23-8(2)13(22)18-11-6-9(15)5-10(16)7-11/h5-8H,3-4,17H2,1-2H3,(H,18,22)/t8-/m1/s1
InChIKeyILVQNJCRAYWWKH-MRVPVSSYSA-N
MW374.30 g/mol
LogP3.37
Rot. Bonds6

About (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide

(2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 7743486) has the molecular formula C14H17Cl2N5OS and a molecular weight of 374.30 g/mol. Its IUPAC name is (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
PubChem CID7743486
Molecular FormulaC14H17Cl2N5OS
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name(2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
SMILESCCCc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1N
InChIInChI=1S/C14H17Cl2N5OS/c1-3-4-12-19-20-14(21(12)17)23-8(2)13(22)18-11-6-9(15)5-10(16)7-11/h5-8H,3-4,17H2,1-2H3,(H,18,22)/t8-/m1/s1
InChIKeyILVQNJCRAYWWKH-MRVPVSSYSA-N
XLogP3.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide with MolForge

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Related Compounds

2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 20999977
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 3958616
(2S)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 7743330
(2S)-2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 7743580
(2S)-N-(3,5-dichlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7895371
(2R)-N-(3,5-dichlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7665028
(2R)-N-(3,5-dichlorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propanamide
CID 7876650
(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 7743263
(2S)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 25445578
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)propanamide
CID 21000009
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7760118
2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)propanamide
CID 24501353

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide (CID 7743486) is (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide is CCCc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n1N.
What is the InChIKey of (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is ILVQNJCRAYWWKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17Cl2N5OS/c1-3-4-12-19-20-14(21(12)17)23-8(2)13(22)18-11-6-9(15)5-10(16)7-11/h5-8H,3-4,17H2,1-2H3,(H,18,22)/t8-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
(2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 374.30 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 7743486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).