1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea

C16H20N2OS — CID 9233877

IUPAC1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)N[C@H](C)CCc2ccco2)c1
InChIInChI=1S/C16H20N2OS/c1-12-5-3-6-14(11-12)18-16(20)17-13(2)8-9-15-7-4-10-19-15/h3-7,10-11,13H,8-9H2,1-2H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyFPLLILWRQHKFAS-CYBMUJFWSA-N
MW288.42 g/mol
LogP3.90
Rot. Bonds5

About 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea

1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea (PubChem CID 9233877) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea
PubChem CID9233877
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)N[C@H](C)CCc2ccco2)c1
InChIInChI=1S/C16H20N2OS/c1-12-5-3-6-14(11-12)18-16(20)17-13(2)8-9-15-7-4-10-19-15/h3-7,10-11,13H,8-9H2,1-2H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyFPLLILWRQHKFAS-CYBMUJFWSA-N
XLogP3.90
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.90
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

1-(2,5-dimethylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234062
1-(4-butylphenyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234141
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
CID 1460428
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
1-(3-methylphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154885
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234168
1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea (CID 9233877) is 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)N[C@H](C)CCc2ccco2)c1.
What is the InChIKey of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea?
The InChIKey is FPLLILWRQHKFAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-5-3-6-14(11-12)18-16(20)17-13(2)8-9-15-7-4-10-19-15/h3-7,10-11,13H,8-9H2,1-2H3,(H2,17,18,20)/t13-/m1/s1.
What are the key properties of 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea?
1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea has a molecular weight of 288.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(furan-2-yl)butan-2-yl]-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 9233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).