3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid

C9H14N2O2S — CID 122048185

IUPAC3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)c1cnc(NCCC(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-6(2)7-5-11-9(14-7)10-4-3-8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyHSDYTXWTQJRGFQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.15
Rot. Bonds5

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

3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid (PubChem CID 122048185) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
PubChem CID122048185
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)c1cnc(NCCC(=O)O)s1
InChIInChI=1S/C9H14N2O2S/c1-6(2)7-5-11-9(14-7)10-4-3-8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyHSDYTXWTQJRGFQ-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid (CID 122048185) is 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid is CC(C)c1cnc(NCCC(=O)O)s1.
What is the InChIKey of 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
The InChIKey is HSDYTXWTQJRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)7-5-11-9(14-7)10-4-3-8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid?
3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 122048185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).