3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea

C14H22N2OS — CID 47508994

IUPAC3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea
SMILESCc1occc1CN(C)C(=S)NC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11-12(8-9-17-11)10-16(2)14(18)15-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3,(H,15,18)
InChIKeyTYJRFMIIVRAFOF-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.23
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea

3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea (PubChem CID 47508994) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea
PubChem CID47508994
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea
SMILESCc1occc1CN(C)C(=S)NC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11-12(8-9-17-11)10-16(2)14(18)15-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3,(H,15,18)
InChIKeyTYJRFMIIVRAFOF-UHFFFAOYSA-N
XLogP3.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
2-[[(cyclohexylamino)-[methyl-[(2-methylfuran-3-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110048599
1-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-methylthiourea
CID 116507608
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115591598
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
3-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea
CID 113218694
2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815743
3-cyclohexyl-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)thiourea
CID 116508875
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
CID 113224002
3-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-1-methylthiourea
CID 8785757

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea (CID 47508994) is 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea is Cc1occc1CN(C)C(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea?
The InChIKey is TYJRFMIIVRAFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-12(8-9-17-11)10-16(2)14(18)15-13-6-4-3-5-7-13/h8-9,13H,3-7,10H2,1-2H3,(H,15,18).
What are the key properties of 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea?
3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea has a molecular weight of 266.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea is sourced from PubChem (CID 47508994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).