1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone

C22H18N4O3S — CID 46208937

IUPAC1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C22H18N4O3S/c27-19(22-25-17-3-1-2-4-18(17)30-22)15-5-7-16(8-6-15)29-21-20(23-9-10-24-21)26-11-13-28-14-12-26/h1-10H,11-14H2
InChIKeyDVBCTQVDMKFPPK-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.95
Rot. Bonds5

About 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone

1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone (PubChem CID 46208937) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone
PubChem CID46208937
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C22H18N4O3S/c27-19(22-25-17-3-1-2-4-18(17)30-22)15-5-7-16(8-6-15)29-21-20(23-9-10-24-21)26-11-13-28-14-12-26/h1-10H,11-14H2
InChIKeyDVBCTQVDMKFPPK-UHFFFAOYSA-N
XLogP3.95
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone (CID 46208937) is 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2N2CCOCC2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The InChIKey is DVBCTQVDMKFPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-19(22-25-17-3-1-2-4-18(17)30-22)15-5-7-16(8-6-15)29-21-20(23-9-10-24-21)26-11-13-28-14-12-26/h1-10H,11-14H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone has a molecular weight of 418.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone is sourced from PubChem (CID 46208937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).