2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone

C20H21N3O2S — CID 53037463

IUPAC2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2csc(-c3cccn3CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-4-6-16(7-5-15)17-14-26-20(21-17)18-3-2-8-23(18)13-19(24)22-9-11-25-12-10-22/h2-8,14H,9-13H2,1H3
InChIKeyNDASGAHIZBXEHF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.45
Rot. Bonds4

About 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone

2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 53037463) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
PubChem CID53037463
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2csc(-c3cccn3CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-4-6-16(7-5-15)17-14-26-20(21-17)18-3-2-8-23(18)13-19(24)22-9-11-25-12-10-22/h2-8,14H,9-13H2,1H3
InChIKeyNDASGAHIZBXEHF-UHFFFAOYSA-N
XLogP3.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone (CID 53037463) is 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone is Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NDASGAHIZBXEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-4-6-16(7-5-15)17-14-26-20(21-17)18-3-2-8-23(18)13-19(24)22-9-11-25-12-10-22/h2-8,14H,9-13H2,1H3.
What are the key properties of 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 367.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 53037463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).