3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea

C19H26N2O2S — CID 17383933

IUPAC3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
SMILESCc1ccc(CN(Cc2ccco2)C(=S)NC2CCCCCC2)o1
InChIInChI=1S/C19H26N2O2S/c1-15-10-11-18(23-15)14-21(13-17-9-6-12-22-17)19(24)20-16-7-4-2-3-5-8-16/h6,9-12,16H,2-5,7-8,13-14H2,1H3,(H,20,24)
InChIKeyYHLDHSPEHRERAF-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.78
Rot. Bonds5

About 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea

3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea (PubChem CID 17383933) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea.

Molecular Properties

Compound Name3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
PubChem CID17383933
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
SMILESCc1ccc(CN(Cc2ccco2)C(=S)NC2CCCCCC2)o1
InChIInChI=1S/C19H26N2O2S/c1-15-10-11-18(23-15)14-21(13-17-9-6-12-22-17)19(24)20-16-7-4-2-3-5-8-16/h6,9-12,16H,2-5,7-8,13-14H2,1H3,(H,20,24)
InChIKeyYHLDHSPEHRERAF-UHFFFAOYSA-N
XLogP4.78
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclooctyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(furan-2-ylmethyl)thiourea
CID 17065435
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40596895
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
1-benzyl-1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065741
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
1-cyclohexyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065938
2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 166415332
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
CID 22778926
1-(furan-2-ylmethyl)-1-(2-methylcyclohexyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17066047
3-cyclohexyl-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495795
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea?
The IUPAC name of 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea (CID 17383933) is 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea.
What is the SMILES notation for 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea?
The canonical SMILES for 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea is Cc1ccc(CN(Cc2ccco2)C(=S)NC2CCCCCC2)o1.
What is the InChIKey of 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea?
The InChIKey is YHLDHSPEHRERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15-10-11-18(23-15)14-21(13-17-9-6-12-22-17)19(24)20-16-7-4-2-3-5-8-16/h6,9-12,16H,2-5,7-8,13-14H2,1H3,(H,20,24).
What are the key properties of 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea?
3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea has a molecular weight of 346.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea is sourced from PubChem (CID 17383933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).