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

C7H11N3O2S — CID 65209701

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid
SMILESCCC(Nc1nnc(C)s1)C(=O)O
InChIInChI=1S/C7H11N3O2S/c1-3-5(6(11)12)8-7-10-9-4(2)13-7/h5H,3H2,1-2H3,(H,8,10)(H,11,12)
InChIKeyPHDNJXPZVCMNDS-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.12
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid (PubChem CID 65209701) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid
PubChem CID65209701
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid
SMILESCCC(Nc1nnc(C)s1)C(=O)O
InChIInChI=1S/C7H11N3O2S/c1-3-5(6(11)12)8-7-10-9-4(2)13-7/h5H,3H2,1-2H3,(H,8,10)(H,11,12)
InChIKeyPHDNJXPZVCMNDS-UHFFFAOYSA-N
XLogP1.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid (CID 65209701) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid is CCC(Nc1nnc(C)s1)C(=O)O.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid?
The InChIKey is PHDNJXPZVCMNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-5(6(11)12)8-7-10-9-4(2)13-7/h5H,3H2,1-2H3,(H,8,10)(H,11,12).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid has a molecular weight of 201.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 65209701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).