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

C17H21Cl2N5OS — CID 7183735

IUPAC(2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NC1CCCCC1
InChIInChI=1S/C17H21Cl2N5OS/c1-10(16(25)21-12-5-3-2-4-6-12)26-17-23-22-15(24(17)20)13-8-7-11(18)9-14(13)19/h7-10,12H,2-6,20H2,1H3,(H,21,25)/t10-/m1/s1
InChIKeyDLGANLLQMRBFKC-SNVBAGLBSA-N
MW414.36 g/mol
LogP3.90
Rot. Bonds5

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

(2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide (PubChem CID 7183735) has the molecular formula C17H21Cl2N5OS and a molecular weight of 414.36 g/mol. Its IUPAC name is (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
PubChem CID7183735
Molecular FormulaC17H21Cl2N5OS
Molecular Weight414.36 g/mol
Exact Mass413.08
IUPAC Name(2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
SMILESC[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NC1CCCCC1
InChIInChI=1S/C17H21Cl2N5OS/c1-10(16(25)21-12-5-3-2-4-6-12)26-17-23-22-15(24(17)20)13-8-7-11(18)9-14(13)19/h7-10,12H,2-6,20H2,1H3,(H,21,25)/t10-/m1/s1
InChIKeyDLGANLLQMRBFKC-SNVBAGLBSA-N
XLogP3.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2R)-2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 40609741
(2S)-2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 7483673
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide
CID 78457593
(2S)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 40622885
(2R)-2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide
CID 7184209
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-fluorophenyl)propanamide
CID 55419114
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 42974274
(2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide
CID 27340007
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 46618263
(2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylpropanamide
CID 7300201
(2S)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7183732
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide (CID 7183735) is (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide is C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide?
The InChIKey is DLGANLLQMRBFKC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21Cl2N5OS/c1-10(16(25)21-12-5-3-2-4-6-12)26-17-23-22-15(24(17)20)13-8-7-11(18)9-14(13)19/h7-10,12H,2-6,20H2,1H3,(H,21,25)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide?
(2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide has a molecular weight of 414.36 g/mol, XLogP of 3.90, 5 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-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 7183735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).