1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea

C13H24N5OS+ — CID 8538603

IUPAC1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
SMILESCc1nn(C)c(C)c1NC(=S)NCC[NH+]1CCOCC1
InChIInChI=1S/C13H23N5OS/c1-10-12(11(2)17(3)16-10)15-13(20)14-4-5-18-6-8-19-9-7-18/h4-9H2,1-3H3,(H2,14,15,20)/p+1
InChIKeyOUBYKOGZTXLEKE-UHFFFAOYSA-O
MW298.44 g/mol
LogP-0.76
Rot. Bonds4

About 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea

1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea (PubChem CID 8538603) has the molecular formula C13H24N5OS+ and a molecular weight of 298.44 g/mol. Its IUPAC name is 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
PubChem CID8538603
Molecular FormulaC13H24N5OS+
Molecular Weight298.44 g/mol
Exact Mass298.17
IUPAC Name1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
SMILESCc1nn(C)c(C)c1NC(=S)NCC[NH+]1CCOCC1
InChIInChI=1S/C13H23N5OS/c1-10-12(11(2)17(3)16-10)15-13(20)14-4-5-18-6-8-19-9-7-18/h4-9H2,1-3H3,(H2,14,15,20)/p+1
InChIKeyOUBYKOGZTXLEKE-UHFFFAOYSA-O
XLogP-0.76
TPSA55.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342932
1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 8538626
1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342939
3-morpholin-4-ium-4-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one chloride
CID 110180050
1-(4-ethylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea
CID 8618793
1-(2-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7303712
N-(2,6-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)acetamide
CID 8790841
1-(4-methyl-3-nitrophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8620193
1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8660333
1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342962
1-(4-chloro-2-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 4068765
1-(2-morpholin-4-ium-4-ylethyl)-3-(4-nitrophenyl)thiourea
CID 7066388

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The IUPAC name of 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea (CID 8538603) is 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea is Cc1nn(C)c(C)c1NC(=S)NCC[NH+]1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The InChIKey is OUBYKOGZTXLEKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N5OS/c1-10-12(11(2)17(3)16-10)15-13(20)14-4-5-18-6-8-19-9-7-18/h4-9H2,1-3H3,(H2,14,15,20)/p+1.
What are the key properties of 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea has a molecular weight of 298.44 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 8538603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).