[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride

C13H17ClN2S — CID 120558534

IUPAC[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
SMILESCCc1nc(-c2cccc(CN)c2)sc1C.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-3-12-9(2)16-13(15-12)11-6-4-5-10(7-11)8-14;/h4-7H,3,8,14H2,1-2H3;1H
InChIKeyIEHZTWIQIXLVDX-UHFFFAOYSA-N
MW268.81 g/mol
LogP3.56
Rot. Bonds3

About [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride

[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride (PubChem CID 120558534) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
PubChem CID120558534
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
SMILESCCc1nc(-c2cccc(CN)c2)sc1C.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-3-12-9(2)16-13(15-12)11-6-4-5-10(7-11)8-14;/h4-7H,3,8,14H2,1-2H3;1H
InChIKeyIEHZTWIQIXLVDX-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
CID 79036936
[3-(thiatriazol-5-yl)phenyl]methanamine
CID 116985710
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
4-ethyl-5-methyl-2-(6-phenyl-3-pyridinyl)-1,3-thiazole
CID 91438180
2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82428618
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
4-ethyl-2-phenyl-1,3-thiazol-5-amine
CID 62076991
[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048318
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride (CID 120558534) is [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride is CCc1nc(-c2cccc(CN)c2)sc1C.Cl.
What is the InChIKey of [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The InChIKey is IEHZTWIQIXLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S.ClH/c1-3-12-9(2)16-13(15-12)11-6-4-5-10(7-11)8-14;/h4-7H,3,8,14H2,1-2H3;1H.
What are the key properties of [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120558534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).