methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate

C12H14N2O3S — CID 113307008

IUPACmethyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C12H14N2O3S/c1-8-9(4-5-17-8)6-14(2)12-13-10(7-18-12)11(15)16-3/h4-5,7H,6H2,1-3H3
InChIKeyPOFRZANWZVBNKT-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.47
Rot. Bonds4

About methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 113307008) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID113307008
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namemethyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C12H14N2O3S/c1-8-9(4-5-17-8)6-14(2)12-13-10(7-18-12)11(15)16-3/h4-5,7H,6H2,1-3H3
InChIKeyPOFRZANWZVBNKT-UHFFFAOYSA-N
XLogP2.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate (CID 113307008) is methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)Cc2ccoc2C)n1.
What is the InChIKey of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is POFRZANWZVBNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8-9(4-5-17-8)6-14(2)12-13-10(7-18-12)11(15)16-3/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).