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

C9H12N2O2S2 — CID 164648525

IUPAC2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(C2CCSC2)n1
InChIInChI=1S/C9H12N2O2S2/c10-7(9(12)13)6-4-15-8(11-6)5-1-2-14-3-5/h4-5,7H,1-3,10H2,(H,12,13)
InChIKeyRNGZFUUZBZPCKR-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.45
Rot. Bonds3

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

2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 164648525) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID164648525
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(C2CCSC2)n1
InChIInChI=1S/C9H12N2O2S2/c10-7(9(12)13)6-4-15-8(11-6)5-1-2-14-3-5/h4-5,7H,1-3,10H2,(H,12,13)
InChIKeyRNGZFUUZBZPCKR-UHFFFAOYSA-N
XLogP1.45
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 104527298
2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527236
3-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087775
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889217
2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid
CID 116891647
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 104527701
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
2-amino-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)acetic acid
CID 104527258
3-amino-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116890756
2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527460

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid (CID 164648525) is 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(C2CCSC2)n1.
What is the InChIKey of 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RNGZFUUZBZPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c10-7(9(12)13)6-4-15-8(11-6)5-1-2-14-3-5/h4-5,7H,1-3,10H2,(H,12,13).
What are the key properties of 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 244.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 164648525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).