(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine

C13H11FN2OS — CID 64993563

IUPAC(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCc1c(C(N)c2nccs2)oc2cc(F)ccc12
InChIInChI=1S/C13H11FN2OS/c1-7-9-3-2-8(14)6-10(9)17-12(7)11(15)13-16-4-5-18-13/h2-6,11H,15H2,1H3
InChIKeyYJBCNCIUCDHLKC-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.38
Rot. Bonds2

About (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine

(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 64993563) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
PubChem CID64993563
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCc1c(C(N)c2nccs2)oc2cc(F)ccc12
InChIInChI=1S/C13H11FN2OS/c1-7-9-3-2-8(14)6-10(9)17-12(7)11(15)13-16-4-5-18-13/h2-6,11H,15H2,1H3
InChIKeyYJBCNCIUCDHLKC-UHFFFAOYSA-N
XLogP3.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine (CID 64993563) is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine is Cc1c(C(N)c2nccs2)oc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is YJBCNCIUCDHLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-7-9-3-2-8(14)6-10(9)17-12(7)11(15)13-16-4-5-18-13/h2-6,11H,15H2,1H3.
What are the key properties of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 262.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 64993563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).