4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid

C11H19N3O2S — CID 65270819

IUPAC4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCCCc1nsc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H19N3O2S/c1-4-5-9-13-11(17-14-9)12-8(10(15)16)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyQWWGMRXPBPHAPD-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.40
Rot. Bonds7

About 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid

4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (PubChem CID 65270819) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
PubChem CID65270819
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
SMILESCCCc1nsc(NC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C11H19N3O2S/c1-4-5-9-13-11(17-14-9)12-8(10(15)16)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyQWWGMRXPBPHAPD-UHFFFAOYSA-N
XLogP2.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-4-methylpentanoic acid
CID 122062555
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
3-methoxy-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 81078153
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194
2-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 106108351
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65276938
1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276800
1-N,1-N-dimethyl-3-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 65276840
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid (CID 65270819) is 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is CCCc1nsc(NC(CC(C)C)C(=O)O)n1.
What is the InChIKey of 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
The InChIKey is QWWGMRXPBPHAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-5-9-13-11(17-14-9)12-8(10(15)16)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid?
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid has a molecular weight of 257.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid is sourced from PubChem (CID 65270819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).