1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

C18H23N4O3S+ — CID 8669415

IUPAC1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SMILESO=C(NNC(=S)NCC[NH+]1CCOCC1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H22N4O3S/c23-16-12-14-4-2-1-3-13(14)11-15(16)17(24)20-21-18(26)19-5-6-22-7-9-25-10-8-22/h1-4,11-12,23H,5-10H2,(H,20,24)(H2,19,21,26)/p+1
InChIKeyUYMCYIAPHFDDIK-UHFFFAOYSA-O
MW375.47 g/mol
LogP-0.43
Rot. Bonds4

About 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea (PubChem CID 8669415) has the molecular formula C18H23N4O3S+ and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
PubChem CID8669415
Molecular FormulaC18H23N4O3S+
Molecular Weight375.47 g/mol
Exact Mass375.15
IUPAC Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SMILESO=C(NNC(=S)NCC[NH+]1CCOCC1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H22N4O3S/c23-16-12-14-4-2-1-3-13(14)11-15(16)17(24)20-21-18(26)19-5-6-22-7-9-25-10-8-22/h1-4,11-12,23H,5-10H2,(H,20,24)(H2,19,21,26)/p+1
InChIKeyUYMCYIAPHFDDIK-UHFFFAOYSA-O
XLogP-0.43
TPSA87.06 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
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-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 2109384
1-(2-morpholin-4-ium-4-ylethyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]thiourea
CID 8767625
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
CID 3964823
2-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzamide
CID 7349244
1-[(3-chlorobenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8730957
1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea
CID 8747612
1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8562705
N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 7270325
1-(2-morpholin-4-ium-4-ylethyl)-3-(phthalazin-1-ylamino)thiourea
CID 2396010
4-[2-(2-morpholin-4-ium-4-ylethylcarbamothioyl)hydrazinyl]benzoate
CID 2381772
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2109385

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea (CID 8669415) is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The canonical SMILES for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea is O=C(NNC(=S)NCC[NH+]1CCOCC1)c1cc2ccccc2cc1O.
What is the InChIKey of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
The InChIKey is UYMCYIAPHFDDIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N4O3S/c23-16-12-14-4-2-1-3-13(14)11-15(16)17(24)20-21-18(26)19-5-6-22-7-9-25-10-8-22/h1-4,11-12,23H,5-10H2,(H,20,24)(H2,19,21,26)/p+1.
What are the key properties of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea?
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea has a molecular weight of 375.47 g/mol, XLogP of -0.43, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea is sourced from PubChem (CID 8669415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).