1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea

C16H20N4OS2 — CID 8619132

IUPAC1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
SMILESCC(C)c1ccc(NC(=S)NNC(=S)NCc2ccco2)cc1
InChIInChI=1S/C16H20N4OS2/c1-11(2)12-5-7-13(8-6-12)18-16(23)20-19-15(22)17-10-14-4-3-9-21-14/h3-9,11H,10H2,1-2H3,(H2,17,19,22)(H2,18,20,23)
InChIKeyHPCGSVAWZYVZGG-UHFFFAOYSA-N
MW348.50 g/mol
LogP3.27
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea

1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea (PubChem CID 8619132) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
PubChem CID8619132
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
SMILESCC(C)c1ccc(NC(=S)NNC(=S)NCc2ccco2)cc1
InChIInChI=1S/C16H20N4OS2/c1-11(2)12-5-7-13(8-6-12)18-16(23)20-19-15(22)17-10-14-4-3-9-21-14/h3-9,11H,10H2,1-2H3,(H2,17,19,22)(H2,18,20,23)
InChIKeyHPCGSVAWZYVZGG-UHFFFAOYSA-N
XLogP3.27
TPSA61.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

1-(3,4-dimethylphenyl)-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8618168
1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
CID 8564804
1-(4-chloroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8656042
1-(furan-2-ylmethyl)-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8629153
4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
CID 8628684
N-(furan-2-ylmethyl)-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide
CID 17200195
1-(2-methylprop-2-enyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea
CID 8619092
1-(3,3-dimethylbutan-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 17277646
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
1-(4-fluoroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8669178
dimethyl-[2-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]ethyl]azanium
CID 8619130
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea (CID 8619132) is 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea is CC(C)c1ccc(NC(=S)NNC(=S)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea?
The InChIKey is HPCGSVAWZYVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-11(2)12-5-7-13(8-6-12)18-16(23)20-19-15(22)17-10-14-4-3-9-21-14/h3-9,11H,10H2,1-2H3,(H2,17,19,22)(H2,18,20,23).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea?
1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea has a molecular weight of 348.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea is sourced from PubChem (CID 8619132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).