2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride

C5H7ClN2O2S — CID 13017673

IUPAC2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
SMILESCl.Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C5H6N2O2S.ClH/c6-5-7-3(2-10-5)1-4(8)9;/h2H,1H2,(H2,6,7)(H,8,9);1H
InChIKeyZEWJJZKVQOMYKJ-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.77
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride

2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride (PubChem CID 13017673) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
PubChem CID13017673
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
SMILESCl.Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C5H6N2O2S.ClH/c6-5-7-3(2-10-5)1-4(8)9;/h2H,1H2,(H2,6,7)(H,8,9);1H
InChIKeyZEWJJZKVQOMYKJ-UHFFFAOYSA-N
XLogP0.77
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
CID 64685300
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
CID 56988029
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid
CID 62797687
2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
CID 79456857
(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
CID 62799107
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-(2-carbamimidoyl-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 140675778

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride (CID 13017673) is 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride is Cl.Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride?
The InChIKey is ZEWJJZKVQOMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.ClH/c6-5-7-3(2-10-5)1-4(8)9;/h2H,1H2,(H2,6,7)(H,8,9);1H.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride?
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride has a molecular weight of 194.64 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 13017673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).