(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

C15H20N4O3S — CID 8562270

IUPAC(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](Nc1cc(OC)ccc1OC)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H20N4O3S/c1-5-11(14(20)17-15-19-18-9(2)23-15)16-12-8-10(21-3)6-7-13(12)22-4/h6-8,11,16H,5H2,1-4H3,(H,17,19,20)/t11-/m1/s1
InChIKeyLRAFSWSSANVZRX-LLVKDONJSA-N
MW336.42 g/mol
LogP2.69
Rot. Bonds7

About (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 8562270) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID8562270
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](Nc1cc(OC)ccc1OC)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H20N4O3S/c1-5-11(14(20)17-15-19-18-9(2)23-15)16-12-8-10(21-3)6-7-13(12)22-4/h6-8,11,16H,5H2,1-4H3,(H,17,19,20)/t11-/m1/s1
InChIKeyLRAFSWSSANVZRX-LLVKDONJSA-N
XLogP2.69
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8558307
(2S)-2-(3-methylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8558062
(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 30237362
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
(2S,3R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 93100394
2-(5-methoxy-2-methylanilino)butanamide
CID 167770796
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 11958454
methyl 2-(2,5-dimethoxyanilino)propanoate
CID 54941046
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28576208
2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3485822

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 8562270) is (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is CC[C@@H](Nc1cc(OC)ccc1OC)C(=O)Nc1nnc(C)s1.
What is the InChIKey of (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is LRAFSWSSANVZRX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-11(14(20)17-15-19-18-9(2)23-15)16-12-8-10(21-3)6-7-13(12)22-4/h6-8,11,16H,5H2,1-4H3,(H,17,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
(2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 336.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 8562270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).