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

C10H14N2O2S3 — CID 104527236

IUPAC2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1SCCSC1c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C10H14N2O2S3/c1-5-8(16-3-2-15-5)9-12-6(4-17-9)7(11)10(13)14/h4-5,7-8H,2-3,11H2,1H3,(H,13,14)
InChIKeyAOJQMHPFRLNPLQ-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.14
Rot. Bonds3

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

2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527236) has the molecular formula C10H14N2O2S3 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527236
Molecular FormulaC10H14N2O2S3
Molecular Weight290.44 g/mol
Exact Mass290.02
IUPAC Name2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC1SCCSC1c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C10H14N2O2S3/c1-5-8(16-3-2-15-5)9-12-6(4-17-9)7(11)10(13)14/h4-5,7-8H,2-3,11H2,1H3,(H,13,14)
InChIKeyAOJQMHPFRLNPLQ-UHFFFAOYSA-N
XLogP2.14
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115388356
2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 164648525
2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 104527298
2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527460
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
CID 104527084
2-amino-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)acetic acid
CID 104527258
2-amino-2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 103097346
2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527841
2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527032

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid (CID 104527236) is 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid is CC1SCCSC1c1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AOJQMHPFRLNPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S3/c1-5-8(16-3-2-15-5)9-12-6(4-17-9)7(11)10(13)14/h4-5,7-8H,2-3,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 290.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).