1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea

C15H22N4O3S — CID 2109385

IUPAC1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1O
InChIInChI=1S/C15H22N4O3S/c20-13-5-2-1-4-12(13)14(21)17-18-15(23)16-6-3-7-19-8-10-22-11-9-19/h1-2,4-5,20H,3,6-11H2,(H,17,21)(H2,16,18,23)
InChIKeyRJFBGXYHRIWCJU-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.22
Rot. Bonds5

About 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea

1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 2109385) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID2109385
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1O
InChIInChI=1S/C15H22N4O3S/c20-13-5-2-1-4-12(13)14(21)17-18-15(23)16-6-3-7-19-8-10-22-11-9-19/h1-2,4-5,20H,3,6-11H2,(H,17,21)(H2,16,18,23)
InChIKeyRJFBGXYHRIWCJU-UHFFFAOYSA-N
XLogP0.22
TPSA85.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8766893
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 2109384
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
1-[(2-hydroxybenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CID 7943517
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
1-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8788577
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8617118
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
methyl 6-[[(2-hydroxybenzoyl)amino]carbamothioylamino]hexanoate
CID 8669515
1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669181

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea (CID 2109385) is 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea is O=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1O.
What is the InChIKey of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is RJFBGXYHRIWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c20-13-5-2-1-4-12(13)14(21)17-18-15(23)16-6-3-7-19-8-10-22-11-9-19/h1-2,4-5,20H,3,6-11H2,(H,17,21)(H2,16,18,23).
What are the key properties of 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 338.43 g/mol, XLogP of 0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 2109385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).