1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine

C14H12N2OS — CID 116967651

IUPAC1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2nc(-c3coc4ccccc34)cs2)CC1
InChIInChI=1S/C14H12N2OS/c15-14(5-6-14)13-16-11(8-18-13)10-7-17-12-4-2-1-3-9(10)12/h1-4,7-8H,5-6,15H2
InChIKeyIUSLOQDFCUGAMA-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.50
Rot. Bonds2

About 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine

1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine (PubChem CID 116967651) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine
PubChem CID116967651
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2nc(-c3coc4ccccc34)cs2)CC1
InChIInChI=1S/C14H12N2OS/c15-14(5-6-14)13-16-11(8-18-13)10-7-17-12-4-2-1-3-9(10)12/h1-4,7-8H,5-6,15H2
InChIKeyIUSLOQDFCUGAMA-UHFFFAOYSA-N
XLogP3.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine (CID 116967651) is 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine is NC1(c2nc(-c3coc4ccccc34)cs2)CC1.
What is the InChIKey of 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The InChIKey is IUSLOQDFCUGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-14(5-6-14)13-16-11(8-18-13)10-7-17-12-4-2-1-3-9(10)12/h1-4,7-8H,5-6,15H2.
What are the key properties of 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine has a molecular weight of 256.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116967651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).