1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea

C19H20FN3O2S — CID 43076208

IUPAC1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2F)cc1N1CCCCC1=O
InChIInChI=1S/C19H20FN3O2S/c1-25-17-10-9-13(12-16(17)23-11-5-4-8-18(23)24)21-19(26)22-15-7-3-2-6-14(15)20/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H2,21,22,26)
InChIKeyGJLWNRFGKORCET-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.16
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea

1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea (PubChem CID 43076208) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
PubChem CID43076208
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2F)cc1N1CCCCC1=O
InChIInChI=1S/C19H20FN3O2S/c1-25-17-10-9-13(12-16(17)23-11-5-4-8-18(23)24)21-19(26)22-15-7-3-2-6-14(15)20/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H2,21,22,26)
InChIKeyGJLWNRFGKORCET-UHFFFAOYSA-N
XLogP4.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.16
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-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
1-(4-ethoxyphenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076214
1-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-methylphenyl)thiourea
CID 43076593
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
1-[5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methoxyphenyl]piperidin-2-one
CID 99807501
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55692126
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea (CID 43076208) is 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea is COc1ccc(NC(=S)Nc2ccccc2F)cc1N1CCCCC1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea?
The InChIKey is GJLWNRFGKORCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-25-17-10-9-13(12-16(17)23-11-5-4-8-18(23)24)21-19(26)22-15-7-3-2-6-14(15)20/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H2,21,22,26).
What are the key properties of 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea?
1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea has a molecular weight of 373.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea is sourced from PubChem (CID 43076208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).