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

C9H15N3O2S — CID 65270725

IUPAC2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCC(C)c1nsc(N(C)C(C)C(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-5(2)7-10-9(15-11-7)12(4)6(3)8(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPHHYSBWOPDNXCH-UHFFFAOYSA-N
MW229.31 g/mol
LogP1.57
Rot. Bonds4

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

2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65270725) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65270725
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCC(C)c1nsc(N(C)C(C)C(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-5(2)7-10-9(15-11-7)12(4)6(3)8(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPHHYSBWOPDNXCH-UHFFFAOYSA-N
XLogP1.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65270725) is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is CC(C)c1nsc(N(C)C(C)C(=O)O)n1.
What is the InChIKey of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is PHHYSBWOPDNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)7-10-9(15-11-7)12(4)6(3)8(13)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 229.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 65270725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).