4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine

C14H14N2OS — CID 62942165

IUPAC4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1c(-c2csc(NC)n2)oc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-3-9-10-6-4-5-7-12(10)17-13(9)11-8-18-14(15-2)16-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyLFDIMZMZNDMTPZ-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.16
Rot. Bonds3

About 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine

4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62942165) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62942165
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1c(-c2csc(NC)n2)oc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-3-9-10-6-4-5-7-12(10)17-13(9)11-8-18-14(15-2)16-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyLFDIMZMZNDMTPZ-UHFFFAOYSA-N
XLogP4.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine (CID 62942165) is 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine is CCc1c(-c2csc(NC)n2)oc2ccccc12.
What is the InChIKey of 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LFDIMZMZNDMTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-3-9-10-6-4-5-7-12(10)17-13(9)11-8-18-14(15-2)16-11/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine?
4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 258.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62942165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).