methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C17H19FN2O4S — CID 69105970

IUPACmethyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H19FN2O4S/c1-17(2,3)24-16(22)20(9-14(21)23-4)15-19-13(10-25-15)11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyTZFBKAVTCVZHSP-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.86
Rot. Bonds4

About methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 69105970) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID69105970
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Namemethyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H19FN2O4S/c1-17(2,3)24-16(22)20(9-14(21)23-4)15-19-13(10-25-15)11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyTZFBKAVTCVZHSP-UHFFFAOYSA-N
XLogP3.86
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate with MolForge

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758
[2-[benzyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] propanoate
CID 18230833
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
CID 133372919
4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 1176073
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 69105970) is methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(C(=O)OC(C)(C)C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is TZFBKAVTCVZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-17(2,3)24-16(22)20(9-14(21)23-4)15-19-13(10-25-15)11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 366.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 69105970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).