1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea

C14H15FN4OS — CID 95593483

IUPAC1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea
SMILESC[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN4OS/c1-8(16-14(21)17-11-6-7-11)13-18-12(19-20-13)9-2-4-10(15)5-3-9/h2-5,8,11H,6-7H2,1H3,(H2,16,17,21)/t8-/m1/s1
InChIKeyHKOZZCYQDZMTSM-MRVPVSSYSA-N
MW306.37 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea

1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea (PubChem CID 95593483) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea
PubChem CID95593483
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea
SMILESC[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN4OS/c1-8(16-14(21)17-11-6-7-11)13-18-12(19-20-13)9-2-4-10(15)5-3-9/h2-5,8,11H,6-7H2,1H3,(H2,16,17,21)/t8-/m1/s1
InChIKeyHKOZZCYQDZMTSM-MRVPVSSYSA-N
XLogP2.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.56
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

(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97089592
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
1-(2-chloro-4,6-dimethylphenyl)-3-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea
CID 49155387
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylcyclopentane-1-carboxamide
CID 95151402
N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 52507006
(4R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylazepane-1-carboxamide
CID 94337405
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 94813254
(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide
CID 95278188
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
methyl 6-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyridine-2-carboxylate
CID 49179087

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea (CID 95593483) is 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea is C[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea?
The InChIKey is HKOZZCYQDZMTSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-8(16-14(21)17-11-6-7-11)13-18-12(19-20-13)9-2-4-10(15)5-3-9/h2-5,8,11H,6-7H2,1H3,(H2,16,17,21)/t8-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea?
1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea has a molecular weight of 306.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiourea is sourced from PubChem (CID 95593483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).