2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

C11H19Cl2N3O2S — CID 141096418

IUPAC2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cnc(CCCN2CCOCC2)s1
InChIInChI=1S/C11H17N3O2S.2ClH/c12-11(15)9-8-13-10(17-9)2-1-3-14-4-6-16-7-5-14;;/h8H,1-7H2,(H2,12,15);2*1H
InChIKeyXWDYXBRTPRCELL-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.35
Rot. Bonds5

About 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 141096418) has the molecular formula C11H19Cl2N3O2S and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID141096418
Molecular FormulaC11H19Cl2N3O2S
Molecular Weight328.27 g/mol
Exact Mass327.06
IUPAC Name2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cnc(CCCN2CCOCC2)s1
InChIInChI=1S/C11H17N3O2S.2ClH/c12-11(15)9-8-13-10(17-9)2-1-3-14-4-6-16-7-5-14;;/h8H,1-7H2,(H2,12,15);2*1H
InChIKeyXWDYXBRTPRCELL-UHFFFAOYSA-N
XLogP1.35
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 141096418) is 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1cnc(CCCN2CCOCC2)s1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is XWDYXBRTPRCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.2ClH/c12-11(15)9-8-13-10(17-9)2-1-3-14-4-6-16-7-5-14;;/h8H,1-7H2,(H2,12,15);2*1H.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 328.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 141096418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).