2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid

C11H19N3O2S — CID 104527466

IUPAC2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C11H19N3O2S/c1-3-5-14(6-4-2)11-13-8(7-17-11)9(12)10(15)16/h7,9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyXVIHDWGBKFDNIS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.85
Rot. Bonds7

About 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527466) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527466
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C11H19N3O2S/c1-3-5-14(6-4-2)11-13-8(7-17-11)9(12)10(15)16/h7,9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyXVIHDWGBKFDNIS-UHFFFAOYSA-N
XLogP1.85
TPSA79.45 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid (CID 104527466) is 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid is CCCN(CCC)c1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XVIHDWGBKFDNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-5-14(6-4-2)11-13-8(7-17-11)9(12)10(15)16/h7,9H,3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 257.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).