1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea

C14H15FN2OS — CID 7944842

IUPAC1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESC[C@H](NC(=S)NCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c1-10(11-4-6-12(15)7-5-11)17-14(19)16-9-13-3-2-8-18-13/h2-8,10H,9H2,1H3,(H2,16,17,19)/t10-/m0/s1
InChIKeyJTEBXAROZHVMCV-JTQLQIEISA-N
MW278.35 g/mol
LogP3.14
Rot. Bonds4

About 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea

1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea (PubChem CID 7944842) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
PubChem CID7944842
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESC[C@H](NC(=S)NCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2OS/c1-10(11-4-6-12(15)7-5-11)17-14(19)16-9-13-3-2-8-18-13/h2-8,10H,9H2,1H3,(H2,16,17,19)/t10-/m0/s1
InChIKeyJTEBXAROZHVMCV-JTQLQIEISA-N
XLogP3.14
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106
1-(3,3-dimethylbutan-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 17277646
1-(4-fluoroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8669178
1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 8618969
1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
CID 17284516
1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8769944
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
CID 8619132
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 27511459
1-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 19469291
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea (CID 7944842) is 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea is C[C@H](NC(=S)NCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is JTEBXAROZHVMCV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-10(11-4-6-12(15)7-5-11)17-14(19)16-9-13-3-2-8-18-13/h2-8,10H,9H2,1H3,(H2,16,17,19)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 278.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 7944842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).