1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea

C14H19N3O2S — CID 100757854

IUPAC1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NCCN2CCCC2=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-19-12-6-4-11(5-7-12)16-14(20)15-8-10-17-9-2-3-13(17)18/h4-7H,2-3,8-10H2,1H3,(H2,15,16,20)
InChIKeyONLOWAYXAQKCFV-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.60
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea

1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea (PubChem CID 100757854) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
PubChem CID100757854
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NCCN2CCCC2=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-19-12-6-4-11(5-7-12)16-14(20)15-8-10-17-9-2-3-13(17)18/h4-7H,2-3,8-10H2,1H3,(H2,15,16,20)
InChIKeyONLOWAYXAQKCFV-UHFFFAOYSA-N
XLogP1.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.60
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-chlorophenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757829
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100758057
1-(3,5-dimethylphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757800
1-(4-ethylphenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea
CID 8658879
1-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100758110
1-(5-methyl-2-pyridinyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100758129
1-[(4-methoxyphenyl)methyl]-3-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100591682
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
2-N-(4-methoxyphenyl)-5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353639
1-(2-methoxy-5-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 3249557
1-(5-chloro-2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2211279

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea (CID 100757854) is 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea is COc1ccc(NC(=S)NCCN2CCCC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea?
The InChIKey is ONLOWAYXAQKCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-19-12-6-4-11(5-7-12)16-14(20)15-8-10-17-9-2-3-13(17)18/h4-7H,2-3,8-10H2,1H3,(H2,15,16,20).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea?
1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea has a molecular weight of 293.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea is sourced from PubChem (CID 100757854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).