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

C14H22ClN3O4S — CID 166369159

IUPACethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(C(C)NC(=O)C2(O)CCNC2)nc1C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-4-21-12(18)10-8(2)16-11(22-10)9(3)17-13(19)14(20)5-6-15-7-14;/h9,15,20H,4-7H2,1-3H3,(H,17,19);1H
InChIKeyLYJGBMTVWUZFQP-UHFFFAOYSA-N
MW363.87 g/mol
LogP0.95
Rot. Bonds5

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

ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 166369159) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID166369159
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Nameethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1sc(C(C)NC(=O)C2(O)CCNC2)nc1C.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-4-21-12(18)10-8(2)16-11(22-10)9(3)17-13(19)14(20)5-6-15-7-14;/h9,15,20H,4-7H2,1-3H3,(H,17,19);1H
InChIKeyLYJGBMTVWUZFQP-UHFFFAOYSA-N
XLogP0.95
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 71971529
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
ethyl 4-methyl-2-[1-(3-phenylprop-2-ynoylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 71921096
ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate
CID 97100260
ethyl 4-methyl-2-[(1S)-1-(3-phenylprop-2-ynoylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 97100257
ethyl 2-[1-[[N-butan-2-yl-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110046267
ethyl 2-[1-[[N-(cyclohexylmethyl)-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110046257
ethyl 2-(2-cyano-1,2-dihydroxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 171870897
ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate
CID 124513905
ethyl 2-[1-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(oxan-2-ylmethyl)carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydroiodide
CID 110046244
2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120887692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (CID 166369159) is ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is CCOC(=O)c1sc(C(C)NC(=O)C2(O)CCNC2)nc1C.Cl.
What is the InChIKey of ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is LYJGBMTVWUZFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-4-21-12(18)10-8(2)16-11(22-10)9(3)17-13(19)14(20)5-6-15-7-14;/h9,15,20H,4-7H2,1-3H3,(H,17,19);1H.
What are the key properties of ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 166369159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).