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

C15H18N2O3S — CID 71983376

IUPACmethyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2(c3nccs3)CCCC2)o1
InChIInChI=1S/C15H18N2O3S/c1-19-13(18)12-5-4-11(20-12)10-17-15(6-2-3-7-15)14-16-8-9-21-14/h4-5,8-9,17H,2-3,6-7,10H2,1H3
InChIKeyKWYJAMJTBOMQNL-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.08
Rot. Bonds5

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

methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate (PubChem CID 71983376) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate
PubChem CID71983376
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Namemethyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2(c3nccs3)CCCC2)o1
InChIInChI=1S/C15H18N2O3S/c1-19-13(18)12-5-4-11(20-12)10-17-15(6-2-3-7-15)14-16-8-9-21-14/h4-5,8-9,17H,2-3,6-7,10H2,1H3
InChIKeyKWYJAMJTBOMQNL-UHFFFAOYSA-N
XLogP3.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate (CID 71983376) is methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC2(c3nccs3)CCCC2)o1.
What is the InChIKey of methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate?
The InChIKey is KWYJAMJTBOMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-13(18)12-5-4-11(20-12)10-17-15(6-2-3-7-15)14-16-8-9-21-14/h4-5,8-9,17H,2-3,6-7,10H2,1H3.
What are the key properties of methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71983376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).