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

C15H18ClN3O3S — CID 119304392

IUPACmethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
SMILESCOC(=O)Cc1sc(NC(=O)[C@H](C)N)nc1-c1ccccc1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-9(16)14(20)18-15-17-13(10-6-4-3-5-7-10)11(22-15)8-12(19)21-2;/h3-7,9H,8,16H2,1-2H3,(H,17,18,20);1H/t9-;/m0./s1
InChIKeyKGNPOQKWHMKYGD-FVGYRXGTSA-N
MW355.85 g/mol
LogP2.23
Rot. Bonds5

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

methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride (PubChem CID 119304392) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
PubChem CID119304392
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Namemethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
SMILESCOC(=O)Cc1sc(NC(=O)[C@H](C)N)nc1-c1ccccc1.Cl
InChIInChI=1S/C15H17N3O3S.ClH/c1-9(16)14(20)18-15-17-13(10-6-4-3-5-7-10)11(22-15)8-12(19)21-2;/h3-7,9H,8,16H2,1-2H3,(H,17,18,20);1H/t9-;/m0./s1
InChIKeyKGNPOQKWHMKYGD-FVGYRXGTSA-N
XLogP2.23
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
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methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
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methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
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2-[2-(2-methylpropanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
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2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
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(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride (CID 119304392) is methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride is COC(=O)Cc1sc(NC(=O)[C@H](C)N)nc1-c1ccccc1.Cl.
What is the InChIKey of methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The InChIKey is KGNPOQKWHMKYGD-FVGYRXGTSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c1-9(16)14(20)18-15-17-13(10-6-4-3-5-7-10)11(22-15)8-12(19)21-2;/h3-7,9H,8,16H2,1-2H3,(H,17,18,20);1H/t9-;/m0./s1.
What are the key properties of methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride is sourced from PubChem (CID 119304392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).