(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C13H18N4O2S — CID 114414556

IUPAC(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1nc(N2CCOCC2)sc1C(=O)N1CC=CCC1
InChIInChI=1S/C13H18N4O2S/c14-11-10(12(18)16-4-2-1-3-5-16)20-13(15-11)17-6-8-19-9-7-17/h1-2H,3-9,14H2
InChIKeyWBIRRJYWNHCSAP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.96
Rot. Bonds2

About (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114414556) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114414556
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1nc(N2CCOCC2)sc1C(=O)N1CC=CCC1
InChIInChI=1S/C13H18N4O2S/c14-11-10(12(18)16-4-2-1-3-5-16)20-13(15-11)17-6-8-19-9-7-17/h1-2H,3-9,14H2
InChIKeyWBIRRJYWNHCSAP-UHFFFAOYSA-N
XLogP0.96
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829
4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672709
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-amino-N-(3-hydroxybutyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673878
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile
CID 155491481

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114414556) is (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is Nc1nc(N2CCOCC2)sc1C(=O)N1CC=CCC1.
What is the InChIKey of (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is WBIRRJYWNHCSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c14-11-10(12(18)16-4-2-1-3-5-16)20-13(15-11)17-6-8-19-9-7-17/h1-2H,3-9,14H2.
What are the key properties of (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 294.38 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114414556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).