methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride

C10H17ClN2O2S — CID 120558464

IUPACmethyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCc1nc(CCNC)sc1C(=O)OC.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-4-7-9(10(13)14-3)15-8(12-7)5-6-11-2;/h11H,4-6H2,1-3H3;1H
InChIKeyUECQBZPQXFRTBH-UHFFFAOYSA-N
MW264.78 g/mol
LogP1.68
Rot. Bonds5

About methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride

methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 120558464) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID120558464
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Namemethyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCc1nc(CCNC)sc1C(=O)OC.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-4-7-9(10(13)14-3)15-8(12-7)5-6-11-2;/h11H,4-6H2,1-3H3;1H
InChIKeyUECQBZPQXFRTBH-UHFFFAOYSA-N
XLogP1.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid
CID 69487025
2-[2-(methylamino)ethyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358700
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
ethyl 2-[(tert-butylamino)methyl]-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840699
4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
CID 82154814
methyl 4-ethyl-2-(2,4,6-trichloroanilino)-1,3-thiazole-5-carboxylate
CID 18672263
methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 122150191
1-[2-(4-aminobutyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 167544356
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969621
methyl 4-ethyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110539054
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride (CID 120558464) is methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride is CCc1nc(CCNC)sc1C(=O)OC.Cl.
What is the InChIKey of methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is UECQBZPQXFRTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S.ClH/c1-4-7-9(10(13)14-3)15-8(12-7)5-6-11-2;/h11H,4-6H2,1-3H3;1H.
What are the key properties of methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride?
methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 120558464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).