1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea

C18H22N4OS — CID 133149882

IUPAC1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea
SMILESCC(NC(=S)Nc1ccc(N2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C18H22N4OS/c1-14(15-5-3-2-4-6-15)20-18(24)21-16-7-8-17(19-13-16)22-9-11-23-12-10-22/h2-8,13-14H,9-12H2,1H3,(H2,20,21,24)
InChIKeyRNJLGHWQZHXEKP-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.97
Rot. Bonds4

About 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea

1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea (PubChem CID 133149882) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea
PubChem CID133149882
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea
SMILESCC(NC(=S)Nc1ccc(N2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C18H22N4OS/c1-14(15-5-3-2-4-6-15)20-18(24)21-16-7-8-17(19-13-16)22-9-11-23-12-10-22/h2-8,13-14H,9-12H2,1H3,(H2,20,21,24)
InChIKeyRNJLGHWQZHXEKP-UHFFFAOYSA-N
XLogP2.97
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]-3-[(1R)-1-phenylethyl]thiourea
CID 125045221
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea
CID 133149888
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
1-[4-(1,3-dihydroisoindol-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]-3-(1-phenylethyl)thiourea
CID 133197395
1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea
CID 94591469
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(1-phenylethyl)thiourea
CID 133197454
6-morpholin-4-yl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 43724774
2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 24590429
N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
CID 112831674
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 48628219

Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea?
The IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea (CID 133149882) is 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea.
What is the SMILES notation for 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea?
The canonical SMILES for 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea is CC(NC(=S)Nc1ccc(N2CCOCC2)nc1)c1ccccc1.
What is the InChIKey of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea?
The InChIKey is RNJLGHWQZHXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-14(15-5-3-2-4-6-15)20-18(24)21-16-7-8-17(19-13-16)22-9-11-23-12-10-22/h2-8,13-14H,9-12H2,1H3,(H2,20,21,24).
What are the key properties of 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea?
1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea has a molecular weight of 342.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea is sourced from PubChem (CID 133149882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).