2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride

C11H11ClN2O2S — CID 52983591

IUPAC2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.NCc1cccc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C11H10N2O2S.ClH/c12-5-7-2-1-3-8(4-7)10-13-9(6-16-10)11(14)15;/h1-4,6H,5,12H2,(H,14,15);1H
InChIKeyRTNNPAJLEFYURV-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.39
Rot. Bonds3

About 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride

2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride (PubChem CID 52983591) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
PubChem CID52983591
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
SMILESCl.NCc1cccc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C11H10N2O2S.ClH/c12-5-7-2-1-3-8(4-7)10-13-9(6-16-10)11(14)15;/h1-4,6H,5,12H2,(H,14,15);1H
InChIKeyRTNNPAJLEFYURV-UHFFFAOYSA-N
XLogP2.39
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 82556225
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
CID 110450278
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 110450412
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride (CID 52983591) is 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride is Cl.NCc1cccc(-c2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
The InChIKey is RTNNPAJLEFYURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S.ClH/c12-5-7-2-1-3-8(4-7)10-13-9(6-16-10)11(14)15;/h1-4,6H,5,12H2,(H,14,15);1H.
What are the key properties of 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride?
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride has a molecular weight of 270.74 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 52983591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).