N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine

C16H12N2OS — CID 22664058

IUPACN-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)oc1ccc(NCc3nccs3)cc12
InChIInChI=1S/C16H12N2OS/c1-2-4-14-12(3-1)13-9-11(5-6-15(13)19-14)18-10-16-17-7-8-20-16/h1-9,18H,10H2
InChIKeyIZPMFSPBNGMDHH-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.65
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine

N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine (PubChem CID 22664058) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine
PubChem CID22664058
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC NameN-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine
SMILESc1ccc2c(c1)oc1ccc(NCc3nccs3)cc12
InChIInChI=1S/C16H12N2OS/c1-2-4-14-12(3-1)13-9-11(5-6-15(13)19-14)18-10-16-17-7-8-20-16/h1-9,18H,10H2
InChIKeyIZPMFSPBNGMDHH-UHFFFAOYSA-N
XLogP4.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine (CID 22664058) is N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine is c1ccc2c(c1)oc1ccc(NCc3nccs3)cc12.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine?
The InChIKey is IZPMFSPBNGMDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-2-4-14-12(3-1)13-9-11(5-6-15(13)19-14)18-10-16-17-7-8-20-16/h1-9,18H,10H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine?
N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine has a molecular weight of 280.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine is sourced from PubChem (CID 22664058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).