N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride

C13H20Cl2N4O2S — CID 119842043

IUPACN-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(N2CCOCC2)cn1)C1CSCN1
InChIInChI=1S/C13H18N4O2S.2ClH/c18-13(11-8-20-9-15-11)16-12-2-1-10(7-14-12)17-3-5-19-6-4-17;;/h1-2,7,11,15H,3-6,8-9H2,(H,14,16,18);2*1H
InChIKeyBQVQZFHUZLJYFJ-UHFFFAOYSA-N
MW367.30 g/mol
LogP1.36
Rot. Bonds3

About N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119842043) has the molecular formula C13H20Cl2N4O2S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119842043
Molecular FormulaC13H20Cl2N4O2S
Molecular Weight367.30 g/mol
Exact Mass366.07
IUPAC NameN-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(N2CCOCC2)cn1)C1CSCN1
InChIInChI=1S/C13H18N4O2S.2ClH/c18-13(11-8-20-9-15-11)16-12-2-1-10(7-14-12)17-3-5-19-6-4-17;;/h1-2,7,11,15H,3-6,8-9H2,(H,14,16,18);2*1H
InChIKeyBQVQZFHUZLJYFJ-UHFFFAOYSA-N
XLogP1.36
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119842043) is N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(N2CCOCC2)cn1)C1CSCN1.
What is the InChIKey of N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is BQVQZFHUZLJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S.2ClH/c18-13(11-8-20-9-15-11)16-12-2-1-10(7-14-12)17-3-5-19-6-4-17;;/h1-2,7,11,15H,3-6,8-9H2,(H,14,16,18);2*1H.
What are the key properties of N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 367.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119842043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).