1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea

C19H24N4OS — CID 92661893

IUPAC1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea
SMILESS=C(NCc1ccccc1)NC[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C19H24N4OS/c25-19(21-13-16-5-2-1-3-6-16)22-15-18(17-7-4-8-20-14-17)23-9-11-24-12-10-23/h1-8,14,18H,9-13,15H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyPNLYXMMIFVTCLX-GOSISDBHSA-N
MW356.50 g/mol
LogP2.12
Rot. Bonds6

About 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea

1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea (PubChem CID 92661893) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea
PubChem CID92661893
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea
SMILESS=C(NCc1ccccc1)NC[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C19H24N4OS/c25-19(21-13-16-5-2-1-3-6-16)22-15-18(17-7-4-8-20-14-17)23-9-11-24-12-10-23/h1-8,14,18H,9-13,15H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyPNLYXMMIFVTCLX-GOSISDBHSA-N
XLogP2.12
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.12
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

N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
N-(2-morpholin-4-ylethyl)-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 27564085
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 7644945
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-indazole-3-carboxamide
CID 99970306
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea?
The IUPAC name of 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea (CID 92661893) is 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea.
What is the SMILES notation for 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea?
The canonical SMILES for 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea is S=C(NCc1ccccc1)NC[C@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea?
The InChIKey is PNLYXMMIFVTCLX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4OS/c25-19(21-13-16-5-2-1-3-6-16)22-15-18(17-7-4-8-20-14-17)23-9-11-24-12-10-23/h1-8,14,18H,9-13,15H2,(H2,21,22,25)/t18-/m1/s1.
What are the key properties of 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea?
1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea has a molecular weight of 356.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea is sourced from PubChem (CID 92661893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).