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

C15H22N4O3S — CID 8766893

IUPAC1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCCN1CCOCC1)c1cccc(O)c1
InChIInChI=1S/C15H22N4O3S/c20-13-4-1-3-12(11-13)14(21)17-18-15(23)16-5-2-6-19-7-9-22-10-8-19/h1,3-4,11,20H,2,5-10H2,(H,17,21)(H2,16,18,23)
InChIKeyNRWLTSJBUGBUCA-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.22
Rot. Bonds5

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

1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 8766893) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID8766893
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESO=C(NNC(=S)NCCCN1CCOCC1)c1cccc(O)c1
InChIInChI=1S/C15H22N4O3S/c20-13-4-1-3-12(11-13)14(21)17-18-15(23)16-5-2-6-19-7-9-22-10-8-19/h1,3-4,11,20H,2,5-10H2,(H,17,21)(H2,16,18,23)
InChIKeyNRWLTSJBUGBUCA-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

3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2109385
1-[[4-[(3,4-dimethylphenoxy)methyl]benzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 19581697
1-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8788577
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea
CID 99816188

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea (CID 8766893) is 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea is O=C(NNC(=S)NCCCN1CCOCC1)c1cccc(O)c1.
What is the InChIKey of 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is NRWLTSJBUGBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c20-13-4-1-3-12(11-13)14(21)17-18-15(23)16-5-2-6-19-7-9-22-10-8-19/h1,3-4,11,20H,2,5-10H2,(H,17,21)(H2,16,18,23).
What are the key properties of 1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(3-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-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 8766893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).