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

C13H12N2OS — CID 2091972

IUPAC4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C13H12N2OS/c1-2-14-13-15-10(8-17-13)12-7-9-5-3-4-6-11(9)16-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyXSYQQTPYYMMRDN-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.99
Rot. Bonds3

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

4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 2091972) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID2091972
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C13H12N2OS/c1-2-14-13-15-10(8-17-13)12-7-9-5-3-4-6-11(9)16-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyXSYQQTPYYMMRDN-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine (CID 2091972) is 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is XSYQQTPYYMMRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-14-13-15-10(8-17-13)12-7-9-5-3-4-6-11(9)16-12/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine?
4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2091972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).