methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride

C16H20ClN3O4S — CID 120987195

IUPACmethyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
SMILESCOCC(N)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1.Cl
InChIInChI=1S/C16H19N3O4S.ClH/c1-22-9-11(17)15(21)19-16-18-14(10-6-4-3-5-7-10)12(24-16)8-13(20)23-2;/h3-7,11H,8-9,17H2,1-2H3,(H,18,19,21);1H
InChIKeyPGJJUWMPXBTXNH-UHFFFAOYSA-N
MW385.87 g/mol
LogP1.86
Rot. Bonds7

About methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride

methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride (PubChem CID 120987195) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
PubChem CID120987195
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Namemethyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
SMILESCOCC(N)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1.Cl
InChIInChI=1S/C16H19N3O4S.ClH/c1-22-9-11(17)15(21)19-16-18-14(10-6-4-3-5-7-10)12(24-16)8-13(20)23-2;/h3-7,11H,8-9,17H2,1-2H3,(H,18,19,21);1H
InChIKeyPGJJUWMPXBTXNH-UHFFFAOYSA-N
XLogP1.86
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride with MolForge

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Related Compounds

methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 119304392
methyl 2-[2-(4-aminopentanoylamino)-4-phenyl-1,3-thiazol-5-yl]acetate
CID 120561313
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644
methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 119750692
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
CID 119750693
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-amino-3-methoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 120988848
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
2-amino-3-methoxy-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 120987782

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride (CID 120987195) is methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride is COCC(N)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1.Cl.
What is the InChIKey of methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The InChIKey is PGJJUWMPXBTXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S.ClH/c1-22-9-11(17)15(21)19-16-18-14(10-6-4-3-5-7-10)12(24-16)8-13(20)23-2;/h3-7,11H,8-9,17H2,1-2H3,(H,18,19,21);1H.
What are the key properties of methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride has a molecular weight of 385.87 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride is sourced from PubChem (CID 120987195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).