N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide

C15H20N2O3S — CID 121122847

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(COC(C)C)o2)s1
InChIInChI=1S/C15H20N2O3S/c1-9(2)19-8-12-5-6-13(20-12)15(18)16-7-14-10(3)17-11(4)21-14/h5-6,9H,7-8H2,1-4H3,(H,16,18)
InChIKeySRUYEWYFTVHZLJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.21
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide (PubChem CID 121122847) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide
PubChem CID121122847
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(COC(C)C)o2)s1
InChIInChI=1S/C15H20N2O3S/c1-9(2)19-8-12-5-6-13(20-12)15(18)16-7-14-10(3)17-11(4)21-14/h5-6,9H,7-8H2,1-4H3,(H,16,18)
InChIKeySRUYEWYFTVHZLJ-UHFFFAOYSA-N
XLogP3.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide (CID 121122847) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide is Cc1nc(C)c(CNC(=O)c2ccc(COC(C)C)o2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is SRUYEWYFTVHZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9(2)19-8-12-5-6-13(20-12)15(18)16-7-14-10(3)17-11(4)21-14/h5-6,9H,7-8H2,1-4H3,(H,16,18).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 121122847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).