[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C20H25N3O2S — CID 1236963

IUPAC[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(N3CCOCC3)sc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15-5-7-16(8-6-15)17-18(19(24)22-9-3-2-4-10-22)26-20(21-17)23-11-13-25-14-12-23/h5-8H,2-4,9-14H2,1H3
InChIKeyDOAZYKGNTCZIJF-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.58
Rot. Bonds3

About [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 1236963) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID1236963
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(N3CCOCC3)sc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15-5-7-16(8-6-15)17-18(19(24)22-9-3-2-4-10-22)26-20(21-17)23-11-13-25-14-12-23/h5-8H,2-4,9-14H2,1H3
InChIKeyDOAZYKGNTCZIJF-UHFFFAOYSA-N
XLogP3.58
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 1236963) is [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is DOAZYKGNTCZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-5-7-16(8-6-15)17-18(19(24)22-9-3-2-4-10-22)26-20(21-17)23-11-13-25-14-12-23/h5-8H,2-4,9-14H2,1H3.
What are the key properties of [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 371.51 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1236963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).