2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid

C8H10N2O3S — CID 12933946

IUPAC2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
SMILESCc1ncsc1CC(=O)NCC(=O)O
InChIInChI=1S/C8H10N2O3S/c1-5-6(14-4-10-5)2-7(11)9-3-8(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyVKWRFQJFBDHCDY-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.19
Rot. Bonds4

About 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid

2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid (PubChem CID 12933946) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
PubChem CID12933946
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
SMILESCc1ncsc1CC(=O)NCC(=O)O
InChIInChI=1S/C8H10N2O3S/c1-5-6(14-4-10-5)2-7(11)9-3-8(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyVKWRFQJFBDHCDY-UHFFFAOYSA-N
XLogP0.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-(4-methyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110679736
N-(4-acetamidophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679721
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679631
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110858418
2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
CID 63281019
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 160669946

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid (CID 12933946) is 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid is Cc1ncsc1CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid?
The InChIKey is VKWRFQJFBDHCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5-6(14-4-10-5)2-7(11)9-3-8(12)13/h4H,2-3H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid?
2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 12933946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).