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

C7H9N3O3S — CID 22003632

IUPAC2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESNCC(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C7H9N3O3S/c8-2-5(11)10-7-9-4(3-14-7)1-6(12)13/h3H,1-2,8H2,(H,12,13)(H,9,10,11)
InChIKeyDVKGNKSSVPPZMN-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.33
Rot. Bonds4

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

2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 22003632) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID22003632
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESNCC(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C7H9N3O3S/c8-2-5(11)10-7-9-4(3-14-7)1-6(12)13/h3H,1-2,8H2,(H,12,13)(H,9,10,11)
InChIKeyDVKGNKSSVPPZMN-UHFFFAOYSA-N
XLogP-0.33
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 22003632) is 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid is NCC(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DVKGNKSSVPPZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-2-5(11)10-7-9-4(3-14-7)1-6(12)13/h3H,1-2,8H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 215.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 22003632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).