1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea

C12H18N4OS — CID 18286603

IUPAC1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
SMILESS=C(NCCN1CCOCC1)Nc1cccnc1
InChIInChI=1S/C12H18N4OS/c18-12(15-11-2-1-3-13-10-11)14-4-5-16-6-8-17-9-7-16/h1-3,10H,4-9H2,(H2,14,15,18)
InChIKeyZJXQWUVEBWELSA-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.70
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea

1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea (PubChem CID 18286603) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
PubChem CID18286603
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
SMILESS=C(NCCN1CCOCC1)Nc1cccnc1
InChIInChI=1S/C12H18N4OS/c18-12(15-11-2-1-3-13-10-11)14-4-5-16-6-8-17-9-7-16/h1-3,10H,4-9H2,(H2,14,15,18)
InChIKeyZJXQWUVEBWELSA-UHFFFAOYSA-N
XLogP0.70
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
1-benzyl-1-(3-morpholin-4-ylpropyl)-3-pyridin-3-ylthiourea
CID 17370493
1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
CID 8656184
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
2-methyl-1-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethyl)guanidine
CID 111023394
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8679916
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea (CID 18286603) is 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea is S=C(NCCN1CCOCC1)Nc1cccnc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea?
The InChIKey is ZJXQWUVEBWELSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c18-12(15-11-2-1-3-13-10-11)14-4-5-16-6-8-17-9-7-16/h1-3,10H,4-9H2,(H2,14,15,18).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea?
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea has a molecular weight of 266.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea is sourced from PubChem (CID 18286603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).