1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C19H24N4O2S — CID 46907657

IUPAC1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cccc(N4CCOCC4)c3)s2)CC1
InChIInChI=1S/C19H24N4O2S/c20-18(24)14-4-6-23(7-5-14)19-21-13-17(26-19)15-2-1-3-16(12-15)22-8-10-25-11-9-22/h1-3,12-14H,4-11H2,(H2,20,24)
InChIKeyJZDUZGZDWCJSCR-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.35
Rot. Bonds4

About 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907657) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907657
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cccc(N4CCOCC4)c3)s2)CC1
InChIInChI=1S/C19H24N4O2S/c20-18(24)14-4-6-23(7-5-14)19-21-13-17(26-19)15-2-1-3-16(12-15)22-8-10-25-11-9-22/h1-3,12-14H,4-11H2,(H2,20,24)
InChIKeyJZDUZGZDWCJSCR-UHFFFAOYSA-N
XLogP2.35
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
1-[5-(3-Pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907702
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 163368422
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 163368434
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 163368454
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-4-carboxamide
CID 163368471
US11319299, Example 619
CID 164608186
N-(3-Methylphenyl)-5-[3-(4-morpholinyl)propyl]-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 44225113
N-(3-Methylphenyl)-5-(4-morpholinylmethyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 44225117
1-[5-(3-Piperidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907679
1-[1-[5-[3-(Dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
CID 46907755
N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 129626066

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907657) is 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(-c3cccc(N4CCOCC4)c3)s2)CC1.
What is the InChIKey of 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is JZDUZGZDWCJSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c20-18(24)14-4-6-23(7-5-14)19-21-13-17(26-19)15-2-1-3-16(12-15)22-8-10-25-11-9-22/h1-3,12-14H,4-11H2,(H2,20,24).
What are the key properties of 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).