8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one

C16H13BrN2O3S — CID 58757660

IUPAC8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ncc(Br)s3)cccc12
InChIInChI=1S/C16H13BrN2O3S/c17-13-9-18-16(23-13)11-3-1-2-10-12(20)8-14(22-15(10)11)19-4-6-21-7-5-19/h1-3,8-9H,4-7H2
InChIKeyTVOUVOUXIJQOEM-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.52
Rot. Bonds2

About 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one

8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 58757660) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID58757660
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ncc(Br)s3)cccc12
InChIInChI=1S/C16H13BrN2O3S/c17-13-9-18-16(23-13)11-3-1-2-10-12(20)8-14(22-15(10)11)19-4-6-21-7-5-19/h1-3,8-9H,4-7H2
InChIKeyTVOUVOUXIJQOEM-UHFFFAOYSA-N
XLogP3.52
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one (CID 58757660) is 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3ncc(Br)s3)cccc12.
What is the InChIKey of 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is TVOUVOUXIJQOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c17-13-9-18-16(23-13)11-3-1-2-10-12(20)8-14(22-15(10)11)19-4-6-21-7-5-19/h1-3,8-9H,4-7H2.
What are the key properties of 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one?
8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 393.26 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-1,3-thiazol-2-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 58757660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).