2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid

C11H19N3O2S — CID 65289975

IUPAC2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid
SMILESCc1nnc(NC(C)CCCC(C)C(=O)O)s1
InChIInChI=1S/C11H19N3O2S/c1-7(10(15)16)5-4-6-8(2)12-11-14-13-9(3)17-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyGLBPXSSVQVKQIE-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.54
Rot. Bonds7

About 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid

2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid (PubChem CID 65289975) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid
PubChem CID65289975
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid
SMILESCc1nnc(NC(C)CCCC(C)C(=O)O)s1
InChIInChI=1S/C11H19N3O2S/c1-7(10(15)16)5-4-6-8(2)12-11-14-13-9(3)17-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyGLBPXSSVQVKQIE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-bromo-1,3-thiazol-2-yl)amino]-2-methylheptanoic acid
CID 79399334
2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 65287409
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
(2S)-N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanamide
CID 131162038
N-(1-cyclopropylpropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208992
(2S)-4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873953
(2S)-2-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 107841233
5-methyl-2-(6-methylheptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 115424136
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 115644021
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 107648177
6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
CID 65289477

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid (CID 65289975) is 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid is Cc1nnc(NC(C)CCCC(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid?
The InChIKey is GLBPXSSVQVKQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(10(15)16)5-4-6-8(2)12-11-14-13-9(3)17-11/h7-8H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid?
2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid has a molecular weight of 257.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]heptanoic acid is sourced from PubChem (CID 65289975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).