methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate

C11H11N3O4S — CID 82342602

IUPACmethyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2ccco2)sc1N
InChIInChI=1S/C11H11N3O4S/c1-17-8(15)5-6-9(12)19-11(13-6)14-10(16)7-3-2-4-18-7/h2-4H,5,12H2,1H3,(H,13,14,16)
InChIKeyPFYSNPKDQLJIJK-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 82342602) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID82342602
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2ccco2)sc1N
InChIInChI=1S/C11H11N3O4S/c1-17-8(15)5-6-9(12)19-11(13-6)14-10(16)7-3-2-4-18-7/h2-4H,5,12H2,1H3,(H,13,14,16)
InChIKeyPFYSNPKDQLJIJK-UHFFFAOYSA-N
XLogP1.29
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 7322531
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 44976263
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814134
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 82342602) is methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1nc(NC(=O)c2ccco2)sc1N.
What is the InChIKey of methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is PFYSNPKDQLJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-17-8(15)5-6-9(12)19-11(13-6)14-10(16)7-3-2-4-18-7/h2-4H,5,12H2,1H3,(H,13,14,16).
What are the key properties of methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 281.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 82342602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).