2-(morpholin-4-ylamino)pyridine-4-carbothioamide

C10H14N4OS — CID 83015809

IUPAC2-(morpholin-4-ylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NN2CCOCC2)c1
InChIInChI=1S/C10H14N4OS/c11-10(16)8-1-2-12-9(7-8)13-14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,11,16)(H,12,13)
InChIKeyKHQFZXPDFJKKGV-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.37
Rot. Bonds3

About 2-(morpholin-4-ylamino)pyridine-4-carbothioamide

2-(morpholin-4-ylamino)pyridine-4-carbothioamide (PubChem CID 83015809) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-(morpholin-4-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(morpholin-4-ylamino)pyridine-4-carbothioamide
PubChem CID83015809
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-(morpholin-4-ylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccnc(NN2CCOCC2)c1
InChIInChI=1S/C10H14N4OS/c11-10(16)8-1-2-12-9(7-8)13-14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,11,16)(H,12,13)
InChIKeyKHQFZXPDFJKKGV-UHFFFAOYSA-N
XLogP0.37
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-(morpholin-4-ylamino)pyridine-4-carbothioamide (CID 83015809) is 2-(morpholin-4-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(morpholin-4-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(morpholin-4-ylamino)pyridine-4-carbothioamide is NC(=S)c1ccnc(NN2CCOCC2)c1.
What is the InChIKey of 2-(morpholin-4-ylamino)pyridine-4-carbothioamide?
The InChIKey is KHQFZXPDFJKKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-10(16)8-1-2-12-9(7-8)13-14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,11,16)(H,12,13).
What are the key properties of 2-(morpholin-4-ylamino)pyridine-4-carbothioamide?
2-(morpholin-4-ylamino)pyridine-4-carbothioamide has a molecular weight of 238.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 83015809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).