1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea

C13H20N2OS — CID 23883035

IUPAC1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
SMILESCN(C(=S)NCc1ccco1)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-15(11-6-3-2-4-7-11)13(17)14-10-12-8-5-9-16-12/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,14,17)
InChIKeyLBUDEKHAFGDWJL-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.92
Rot. Bonds3

About 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea

1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea (PubChem CID 23883035) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
PubChem CID23883035
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
SMILESCN(C(=S)NCc1ccco1)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-15(11-6-3-2-4-7-11)13(17)14-10-12-8-5-9-16-12/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,14,17)
InChIKeyLBUDEKHAFGDWJL-UHFFFAOYSA-N
XLogP2.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8789325
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739268
2-[cyclopentyl-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 60835401
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
1-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-1-methylthiourea
CID 8786011
1-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-methylthiourea
CID 2444352
1-cyclohexyl-3-(furan-2-ylmethyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 6498522
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea?
The IUPAC name of 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea (CID 23883035) is 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea?
The canonical SMILES for 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea is CN(C(=S)NCc1ccco1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea?
The InChIKey is LBUDEKHAFGDWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(11-6-3-2-4-7-11)13(17)14-10-12-8-5-9-16-12/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,14,17).
What are the key properties of 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea?
1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea has a molecular weight of 252.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea is sourced from PubChem (CID 23883035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).