1-benzamido-3-morpholin-4-ylthiourea

C12H16N4O2S — CID 95931415

IUPAC1-benzamido-3-morpholin-4-ylthiourea
SMILESO=C(NNC(=S)NN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H16N4O2S/c17-11(10-4-2-1-3-5-10)13-14-12(19)15-16-6-8-18-9-7-16/h1-5H,6-9H2,(H,13,17)(H2,14,15,19)
InChIKeyFPCKDRLUNCNOLW-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.04
Rot. Bonds2

About 1-benzamido-3-morpholin-4-ylthiourea

1-benzamido-3-morpholin-4-ylthiourea (PubChem CID 95931415) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-benzamido-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-benzamido-3-morpholin-4-ylthiourea
PubChem CID95931415
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-benzamido-3-morpholin-4-ylthiourea
SMILESO=C(NNC(=S)NN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H16N4O2S/c17-11(10-4-2-1-3-5-10)13-14-12(19)15-16-6-8-18-9-7-16/h1-5H,6-9H2,(H,13,17)(H2,14,15,19)
InChIKeyFPCKDRLUNCNOLW-UHFFFAOYSA-N
XLogP0.04
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzamido-3-piperidin-1-ylthiourea
CID 95931584
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide
CID 31196599
1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
CID 17282119
N-(4-oxopiperidin-1-yl)benzamide
CID 57261442
N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 21215408
4-hydrazinyl-N-morpholin-4-ylbenzamide
CID 83025076
1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea
CID 891971
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
benzyl N-morpholin-4-ylcarbamate
CID 54530052
1-benzamido-3-tert-butylthiourea
CID 2743091

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-morpholin-4-ylthiourea?
The IUPAC name of 1-benzamido-3-morpholin-4-ylthiourea (CID 95931415) is 1-benzamido-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-benzamido-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-benzamido-3-morpholin-4-ylthiourea is O=C(NNC(=S)NN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-benzamido-3-morpholin-4-ylthiourea?
The InChIKey is FPCKDRLUNCNOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c17-11(10-4-2-1-3-5-10)13-14-12(19)15-16-6-8-18-9-7-16/h1-5H,6-9H2,(H,13,17)(H2,14,15,19).
What are the key properties of 1-benzamido-3-morpholin-4-ylthiourea?
1-benzamido-3-morpholin-4-ylthiourea has a molecular weight of 280.35 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-morpholin-4-ylthiourea is sourced from PubChem (CID 95931415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).