[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride

C10H11ClN2S — CID 52983593

IUPAC[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1-c1nccs1
InChIInChI=1S/C10H10N2S.ClH/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10;/h1-6H,7,11H2;1H
InChIKeyCZVFYMGNLHDZBB-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.69
Rot. Bonds2

About [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride

[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride (PubChem CID 52983593) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
PubChem CID52983593
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1-c1nccs1
InChIInChI=1S/C10H10N2S.ClH/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10;/h1-6H,7,11H2;1H
InChIKeyCZVFYMGNLHDZBB-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
2-Phenylthiazole
CID 547494
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(R)-N,N-dimethyl-2-(3-(1-(thiazol-2-yl)ethyl)-1H-inden-2-yl)ethanamine
CID 46884666
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
5-Bromo-2-phenyl-1,3-thiazole
CID 13546649
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
2-Benzyl-1,3-thiazole
CID 21183829
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
3-Thiazol-2-yl-3,4-dihydro-isoquinolin-1-ylamine
CID 18785857

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride (CID 52983593) is [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride is Cl.NCc1ccccc1-c1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The InChIKey is CZVFYMGNLHDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.ClH/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10;/h1-6H,7,11H2;1H.
What are the key properties of [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride has a molecular weight of 226.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 52983593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).