1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea

C17H21N3OS — CID 2907680

IUPAC1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
SMILESS=C(NCCN1CCOCC1)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3OS/c22-17(18-8-9-20-10-12-21-13-11-20)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H2,18,19,22)
InChIKeyJYDMVQYINLDNIM-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.46
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea

1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea (PubChem CID 2907680) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
PubChem CID2907680
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
SMILESS=C(NCCN1CCOCC1)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3OS/c22-17(18-8-9-20-10-12-21-13-11-20)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H2,18,19,22)
InChIKeyJYDMVQYINLDNIM-UHFFFAOYSA-N
XLogP2.46
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8617118
1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 8616002
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-(4-iodo-2-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 23964682
1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
CID 1252297
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 5178694
1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777586
1-(2-morpholin-4-ylethyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea;hydrochloride
CID 23449447
1-(2-methyl-5-nitrophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8620220
1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8679916

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea (CID 2907680) is 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea is S=C(NCCN1CCOCC1)Nc1cccc2ccccc12.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea?
The InChIKey is JYDMVQYINLDNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c22-17(18-8-9-20-10-12-21-13-11-20)19-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H2,18,19,22).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea?
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea has a molecular weight of 315.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 2907680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).