ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride

C9H15ClN2O2S — CID 146082192

IUPACethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(C(C)N)nc1C.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-4-13-9(12)7-6(3)11-8(14-7)5(2)10;/h5H,4,10H2,1-3H3;1H
InChIKeyUKYBKKGKFDJCSP-UHFFFAOYSA-N
MW250.75 g/mol
LogP2.07
Rot. Bonds3

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

ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 146082192) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID146082192
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC Nameethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(C(C)N)nc1C.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-4-13-9(12)7-6(3)11-8(14-7)5(2)10;/h5H,4,10H2,1-3H3;1H
InChIKeyUKYBKKGKFDJCSP-UHFFFAOYSA-N
XLogP2.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
ethyl 2-(2-cyano-1,2-dihydroxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 171870897
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 82115430
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate
CID 56793531
ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 166369159
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate
CID 97100260
ethyl 4-methyl-2-[1-(3-phenylprop-2-ynoylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 71921096
ethyl 4-methyl-2-[(1S)-1-(3-phenylprop-2-ynoylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 97100257

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (CID 146082192) is ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is CCOC(=O)c1sc(C(C)N)nc1C.Cl.
What is the InChIKey of ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is UKYBKKGKFDJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c1-4-13-9(12)7-6(3)11-8(14-7)5(2)10;/h5H,4,10H2,1-3H3;1H.
What are the key properties of ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 146082192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).