3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine

C12H9ClN2OS — CID 81434012

IUPAC3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc3cccc(Cl)c3o2)c(N)s1
InChIInChI=1S/C12H9ClN2OS/c1-6-5-7(11(14)17-6)12-15-9-4-2-3-8(13)10(9)16-12/h2-5H,14H2,1H3
InChIKeyYFEXVIWQPIXMBA-UHFFFAOYSA-N
MW264.74 g/mol
LogP4.10
Rot. Bonds1

About 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine

3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine (PubChem CID 81434012) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
PubChem CID81434012
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc3cccc(Cl)c3o2)c(N)s1
InChIInChI=1S/C12H9ClN2OS/c1-6-5-7(11(14)17-6)12-15-9-4-2-3-8(13)10(9)16-12/h2-5H,14H2,1H3
InChIKeyYFEXVIWQPIXMBA-UHFFFAOYSA-N
XLogP4.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine (CID 81434012) is 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine is Cc1cc(-c2nc3cccc(Cl)c3o2)c(N)s1.
What is the InChIKey of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
The InChIKey is YFEXVIWQPIXMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c1-6-5-7(11(14)17-6)12-15-9-4-2-3-8(13)10(9)16-12/h2-5H,14H2,1H3.
What are the key properties of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine has a molecular weight of 264.74 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine is sourced from PubChem (CID 81434012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).