morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone

C21H18N4O2S — CID 11589201

IUPACmorpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCOCC1
InChIInChI=1S/C21H18N4O2S/c26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,22,23)
InChIKeyJDWWTMDNXQUCNH-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.83
Rot. Bonds3

About morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone

morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone (PubChem CID 11589201) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
PubChem CID11589201
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Namemorpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
SMILESO=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCOCC1
InChIInChI=1S/C21H18N4O2S/c26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,22,23)
InChIKeyJDWWTMDNXQUCNH-UHFFFAOYSA-N
XLogP3.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone (CID 11589201) is morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone is O=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?
The InChIKey is JDWWTMDNXQUCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-21(25-6-8-27-9-7-25)20-24-18(13-28-20)17-12-23-19-16(17)10-15(11-22-19)14-4-2-1-3-5-14/h1-5,10-13H,6-9H2,(H,22,23).
What are the key properties of morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone?
morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone has a molecular weight of 390.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 11589201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).