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

C9H15ClN2O2S — CID 82548148

IUPAC2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
SMILESCC(C)C(N)c1nc(CC(=O)O)cs1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-5(2)8(10)9-11-6(4-14-9)3-7(12)13;/h4-5,8H,3,10H2,1-2H3,(H,12,13);1H
InChIKeyUMXMFOCKJAWOAX-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.85
Rot. Bonds4

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

2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride (PubChem CID 82548148) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
PubChem CID82548148
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC Name2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
SMILESCC(C)C(N)c1nc(CC(=O)O)cs1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-5(2)8(10)9-11-6(4-14-9)3-7(12)13;/h4-5,8H,3,10H2,1-2H3,(H,12,13);1H
InChIKeyUMXMFOCKJAWOAX-UHFFFAOYSA-N
XLogP1.85
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 110450436
methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
CID 82547784
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(1-hydroxybutan-2-yl)acetamide
CID 82547902
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 82547915
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450658
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 82547847
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride (CID 82548148) is 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride is CC(C)C(N)c1nc(CC(=O)O)cs1.Cl.
What is the InChIKey of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The InChIKey is UMXMFOCKJAWOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c1-5(2)8(10)9-11-6(4-14-9)3-7(12)13;/h4-5,8H,3,10H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 82548148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).