2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid

C7H11N3O2S — CID 13389287

IUPAC2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid
SMILESNCCNC(C(=O)O)c1cscn1
InChIInChI=1S/C7H11N3O2S/c8-1-2-9-6(7(11)12)5-3-13-4-10-5/h3-4,6,9H,1-2,8H2,(H,11,12)
InChIKeyMEGGNKBFTLJTHN-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.18
Rot. Bonds5

About 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid

2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid (PubChem CID 13389287) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid
PubChem CID13389287
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid
SMILESNCCNC(C(=O)O)c1cscn1
InChIInChI=1S/C7H11N3O2S/c8-1-2-9-6(7(11)12)5-3-13-4-10-5/h3-4,6,9H,1-2,8H2,(H,11,12)
InChIKeyMEGGNKBFTLJTHN-UHFFFAOYSA-N
XLogP-0.18
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid (CID 13389287) is 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid is NCCNC(C(=O)O)c1cscn1.
What is the InChIKey of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid?
The InChIKey is MEGGNKBFTLJTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-1-2-9-6(7(11)12)5-3-13-4-10-5/h3-4,6,9H,1-2,8H2,(H,11,12).
What are the key properties of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid?
2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid has a molecular weight of 201.25 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 13389287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).