[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate

C19H18N2O5S — CID 7909265

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc(-c2nc(COC(=O)CCNC(=O)c3ccco3)cs2)cc1
InChIInChI=1S/C19H18N2O5S/c1-24-15-6-4-13(5-7-15)19-21-14(12-27-19)11-26-17(22)8-9-20-18(23)16-3-2-10-25-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)
InChIKeyIGAKFNPQWKSQEN-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.28
Rot. Bonds8

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate (PubChem CID 7909265) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate
PubChem CID7909265
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc(-c2nc(COC(=O)CCNC(=O)c3ccco3)cs2)cc1
InChIInChI=1S/C19H18N2O5S/c1-24-15-6-4-13(5-7-15)19-21-14(12-27-19)11-26-17(22)8-9-20-18(23)16-3-2-10-25-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)
InChIKeyIGAKFNPQWKSQEN-UHFFFAOYSA-N
XLogP3.28
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 46559524
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 7880026
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24660945
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885532
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(phenylcarbamoylamino)propanoate
CID 7805466
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492
methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
CID 7909054
(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
CID 43030744

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate (CID 7909265) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate is COc1ccc(-c2nc(COC(=O)CCNC(=O)c3ccco3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate?
The InChIKey is IGAKFNPQWKSQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-24-15-6-4-13(5-7-15)19-21-14(12-27-19)11-26-17(22)8-9-20-18(23)16-3-2-10-25-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,23).
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate has a molecular weight of 386.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7909265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).