1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea

C15H16FN3O3S — CID 8769944

IUPAC1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCc1ccco1
InChIInChI=1S/C15H16FN3O3S/c1-10(22-12-6-4-11(16)5-7-12)14(20)18-19-15(23)17-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,18,20)(H2,17,19,23)/t10-/m0/s1
InChIKeyLPURQJAWRWLHKN-JTQLQIEISA-N
MW337.38 g/mol
LogP1.88
Rot. Bonds5

About 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea

1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea (PubChem CID 8769944) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
PubChem CID8769944
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCc1ccco1
InChIInChI=1S/C15H16FN3O3S/c1-10(22-12-6-4-11(16)5-7-12)14(20)18-19-15(23)17-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,18,20)(H2,17,19,23)/t10-/m0/s1
InChIKeyLPURQJAWRWLHKN-JTQLQIEISA-N
XLogP1.88
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
1-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8770692
1-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 2209446
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
1-ethyl-3-[2-(4-fluorophenoxy)propanoylamino]thiourea
CID 17373324
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
1-(4-fluoroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8669178
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide
CID 7779836
N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9159876
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea (CID 8769944) is 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=S)NCc1ccco1.
What is the InChIKey of 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is LPURQJAWRWLHKN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-10(22-12-6-4-11(16)5-7-12)14(20)18-19-15(23)17-9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,18,20)(H2,17,19,23)/t10-/m0/s1.
What are the key properties of 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea?
1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 337.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 8769944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).