3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C16H10N2OS2 — CID 10286404

IUPAC3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H10N2OS2/c19-15-12(7-10-3-1-2-4-13(10)17-15)14-9-21-16(18-14)11-5-6-20-8-11/h1-9H,(H,17,19)
InChIKeyNWOJZWHRHFCZST-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.38
Rot. Bonds2

About 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 10286404) has the molecular formula C16H10N2OS2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID10286404
Molecular FormulaC16H10N2OS2
Molecular Weight310.40 g/mol
Exact Mass310.02
IUPAC Name3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H10N2OS2/c19-15-12(7-10-3-1-2-4-13(10)17-15)14-9-21-16(18-14)11-5-6-20-8-11/h1-9H,(H,17,19)
InChIKeyNWOJZWHRHFCZST-UHFFFAOYSA-N
XLogP4.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 10286404) is 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(-c2ccsc2)n1.
What is the InChIKey of 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is NWOJZWHRHFCZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS2/c19-15-12(7-10-3-1-2-4-13(10)17-15)14-9-21-16(18-14)11-5-6-20-8-11/h1-9H,(H,17,19).
What are the key properties of 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 310.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-3-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10286404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).