methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate

C13H16N2O3S — CID 104588713

IUPACmethyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)c2nccs2)o1
InChIInChI=1S/C13H16N2O3S/c1-9(12-15-5-6-19-12)7-14-8-10-3-4-11(18-10)13(16)17-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyDSBJTEKJARVKRP-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.42
Rot. Bonds6

About methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate

methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate (PubChem CID 104588713) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate
PubChem CID104588713
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Namemethyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)c2nccs2)o1
InChIInChI=1S/C13H16N2O3S/c1-9(12-15-5-6-19-12)7-14-8-10-3-4-11(18-10)13(16)17-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyDSBJTEKJARVKRP-UHFFFAOYSA-N
XLogP2.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate
CID 10680599
methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
CID 114127035
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
methyl 5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 103923082
methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate
CID 71983376
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate (CID 104588713) is methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCC(C)c2nccs2)o1.
What is the InChIKey of methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate?
The InChIKey is DSBJTEKJARVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(12-15-5-6-19-12)7-14-8-10-3-4-11(18-10)13(16)17-2/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate?
methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 104588713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).