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

C7H10N2O2S — CID 62960794

IUPAC2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESCCc1csc(NCC(=O)O)n1
InChIInChI=1S/C7H10N2O2S/c1-2-5-4-12-7(9-5)8-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyLVHBDMJPDBQTPB-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.20
Rot. Bonds4

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

2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 62960794) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID62960794
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESCCc1csc(NCC(=O)O)n1
InChIInChI=1S/C7H10N2O2S/c1-2-5-4-12-7(9-5)8-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyLVHBDMJPDBQTPB-UHFFFAOYSA-N
XLogP1.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62963353
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 62962639
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
CID 62961566
2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
CID 65224618
5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 62962247
4-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525743
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
2-[2-(2-methylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576968
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid (CID 62960794) is 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid is CCc1csc(NCC(=O)O)n1.
What is the InChIKey of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is LVHBDMJPDBQTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-5-4-12-7(9-5)8-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid?
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 186.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 62960794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).