methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate

C14H18N2O3S — CID 97126228

IUPACmethyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc([C@H](C)N(C)Cc2nccs2)cc1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-11(19-13(9)14(17)18-4)10(2)16(3)8-12-15-5-6-20-12/h5-7,10H,8H2,1-4H3/t10-/m0/s1
InChIKeyFXSSPWFYQNJACB-JTQLQIEISA-N
MW294.38 g/mol
LogP3.02
Rot. Bonds5

About methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate

methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate (PubChem CID 97126228) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate
PubChem CID97126228
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namemethyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc([C@H](C)N(C)Cc2nccs2)cc1C
InChIInChI=1S/C14H18N2O3S/c1-9-7-11(19-13(9)14(17)18-4)10(2)16(3)8-12-15-5-6-20-12/h5-7,10H,8H2,1-4H3/t10-/m0/s1
InChIKeyFXSSPWFYQNJACB-JTQLQIEISA-N
XLogP3.02
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-methyl-5-[(1R)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 97126227
(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide
CID 97064296
methyl 5-[(1R)-1-chloroethyl]-3-methylfuran-2-carboxylate
CID 96581725
3-methyl-5-[1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]ethyl]furan-2-carboxylic acid
CID 138003995
2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386183
methyl 5-(1,3-thiazol-2-ylmethyl)furan-2-carboxylate
CID 10680599
methyl 5-[[3-hydroxybutyl(methyl)amino]methyl]-3-methylfuran-2-carboxylate
CID 111488799
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090257
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
CID 110715870
2-methoxy-N,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 131946527
methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate
CID 60762881

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate (CID 97126228) is methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate is COC(=O)c1oc([C@H](C)N(C)Cc2nccs2)cc1C.
What is the InChIKey of methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is FXSSPWFYQNJACB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-7-11(19-13(9)14(17)18-4)10(2)16(3)8-12-15-5-6-20-12/h5-7,10H,8H2,1-4H3/t10-/m0/s1.
What are the key properties of methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate?
methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 97126228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).