[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride

C11H13ClN2S — CID 10776459

IUPAC[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride
SMILESCc1nc(-c2cccc(C[NH3+])c2)cs1.[Cl-]
InChIInChI=1S/C11H12N2S.ClH/c1-8-13-11(7-14-8)10-4-2-3-9(5-10)6-12;/h2-5,7H,6,12H2,1H3;1H
InChIKeyPKFCESWBYVZESK-UHFFFAOYSA-N
MW240.76 g/mol
LogP-1.14
Rot. Bonds2

About [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride

[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride (PubChem CID 10776459) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride.

Molecular Properties

Compound Name[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride
PubChem CID10776459
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride
SMILESCc1nc(-c2cccc(C[NH3+])c2)cs1.[Cl-]
InChIInChI=1S/C11H12N2S.ClH/c1-8-13-11(7-14-8)10-4-2-3-9(5-10)6-12;/h2-5,7H,6,12H2,1H3;1H
InChIKeyPKFCESWBYVZESK-UHFFFAOYSA-N
XLogP-1.14
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
CID 105473201
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 55233873
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
6-(3,5-difluorophenyl)-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyridazin-3-one
CID 59534559
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 126831793
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride?
The IUPAC name of [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride (CID 10776459) is [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride.
What is the SMILES notation for [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride?
The canonical SMILES for [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride is Cc1nc(-c2cccc(C[NH3+])c2)cs1.[Cl-].
What is the InChIKey of [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride?
The InChIKey is PKFCESWBYVZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-8-13-11(7-14-8)10-4-2-3-9(5-10)6-12;/h2-5,7H,6,12H2,1H3;1H.
What are the key properties of [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride?
[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride has a molecular weight of 240.76 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride is sourced from PubChem (CID 10776459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).