(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C15H17ClN4O2S2 — CID 51729034

IUPAC(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H17ClN4O2S2/c1-10(24-15-19-17-9-23-15)14(21)18-12-4-2-3-11(16)13(12)20-5-7-22-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyWIGHXHSRZFRQAE-SNVBAGLBSA-N
MW384.91 g/mol
LogP3.15
Rot. Bonds5

About (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 51729034) has the molecular formula C15H17ClN4O2S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID51729034
Molecular FormulaC15H17ClN4O2S2
Molecular Weight384.91 g/mol
Exact Mass384.05
IUPAC Name(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H17ClN4O2S2/c1-10(24-15-19-17-9-23-15)14(21)18-12-4-2-3-11(16)13(12)20-5-7-22-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyWIGHXHSRZFRQAE-SNVBAGLBSA-N
XLogP3.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2S)-N-(4-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 7990405
N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
N-(5-chloro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622670
2-[[5-(3-chloro-2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 24519280
(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938290
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 51729034) is (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is C[C@@H](Sc1nncs1)C(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is WIGHXHSRZFRQAE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17ClN4O2S2/c1-10(24-15-19-17-9-23-15)14(21)18-12-4-2-3-11(16)13(12)20-5-7-22-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,18,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 384.91 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 51729034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).