1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea

C18H23N3O2S — CID 8617118

IUPAC1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESOc1cccc2c(NC(=S)NCCCN3CCOCC3)cccc12
InChIInChI=1S/C18H23N3O2S/c22-17-7-2-4-14-15(17)5-1-6-16(14)20-18(24)19-8-3-9-21-10-12-23-13-11-21/h1-2,4-7,22H,3,8-13H2,(H2,19,20,24)
InChIKeyNROHTRDDDPZWRV-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.55
Rot. Bonds5

About 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 8617118) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID8617118
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESOc1cccc2c(NC(=S)NCCCN3CCOCC3)cccc12
InChIInChI=1S/C18H23N3O2S/c22-17-7-2-4-14-15(17)5-1-6-16(14)20-18(24)19-8-3-9-21-10-12-23-13-11-21/h1-2,4-7,22H,3,8-13H2,(H2,19,20,24)
InChIKeyNROHTRDDDPZWRV-UHFFFAOYSA-N
XLogP2.55
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8617117
1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8679916
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2109385
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2373595
1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8766893
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
1-(3-morpholin-4-ylpropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624491
1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669181
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8748306

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 8617118) is 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea is Oc1cccc2c(NC(=S)NCCCN3CCOCC3)cccc12.
What is the InChIKey of 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is NROHTRDDDPZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-17-7-2-4-14-15(17)5-1-6-16(14)20-18(24)19-8-3-9-21-10-12-23-13-11-21/h1-2,4-7,22H,3,8-13H2,(H2,19,20,24).
What are the key properties of 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 345.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 8617118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).