1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride

C6H11ClN2S — CID 73012335

IUPAC1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCc1csc(C(C)N)n1.Cl
InChIInChI=1S/C6H10N2S.ClH/c1-4-3-9-6(8-4)5(2)7;/h3,5H,7H2,1-2H3;1H
InChIKeyCSDCEDSQUNCJBU-UHFFFAOYSA-N
MW178.69 g/mol
LogP1.89
Rot. Bonds1

About 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride

1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride (PubChem CID 73012335) has the molecular formula C6H11ClN2S and a molecular weight of 178.69 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
PubChem CID73012335
Molecular FormulaC6H11ClN2S
Molecular Weight178.69 g/mol
Exact Mass178.03
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCc1csc(C(C)N)n1.Cl
InChIInChI=1S/C6H10N2S.ClH/c1-4-3-9-6(8-4)5(2)7;/h3,5H,7H2,1-2H3;1H
InChIKeyCSDCEDSQUNCJBU-UHFFFAOYSA-N
XLogP1.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
CID 143800499
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036
(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 130731435
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373593
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 113328486
1-(4-thiophen-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62091887

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride (CID 73012335) is 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride is Cc1csc(C(C)N)n1.Cl.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is CSDCEDSQUNCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.ClH/c1-4-3-9-6(8-4)5(2)7;/h3,5H,7H2,1-2H3;1H.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride?
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 178.69 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 73012335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).