methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate

C16H20N2O2S — CID 62109656

IUPACmethyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate
SMILESCOC(=O)C(NCc1csc(C(C)C)n1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)15-18-13(10-21-15)9-17-14(16(19)20-3)12-7-5-4-6-8-12/h4-8,10-11,14,17H,9H2,1-3H3
InChIKeyYUENUXGXRGNRPA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.27
Rot. Bonds6

About methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate

methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate (PubChem CID 62109656) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate
PubChem CID62109656
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Namemethyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate
SMILESCOC(=O)C(NCc1csc(C(C)C)n1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)15-18-13(10-21-15)9-17-14(16(19)20-3)12-7-5-4-6-8-12/h4-8,10-11,14,17H,9H2,1-3H3
InChIKeyYUENUXGXRGNRPA-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
N-[[2-[methoxy(phenyl)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774770
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119900104
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38900998
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
2-(2-methoxyphenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728083

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate (CID 62109656) is methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate is COC(=O)C(NCc1csc(C(C)C)n1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
The InChIKey is YUENUXGXRGNRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)15-18-13(10-21-15)9-17-14(16(19)20-3)12-7-5-4-6-8-12/h4-8,10-11,14,17H,9H2,1-3H3.
What are the key properties of methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate?
methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate has a molecular weight of 304.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate is sourced from PubChem (CID 62109656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).