5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide

C18H26N4O2S — CID 119823656

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CSc2nccn2C)o1)C1CCNCC1
InChIInChI=1S/C18H26N4O2S/c1-3-11-22(14-6-8-19-9-7-14)17(23)16-5-4-15(24-16)13-25-18-20-10-12-21(18)2/h4-5,10,12,14,19H,3,6-9,11,13H2,1-2H3
InChIKeyIDKLJKKYYLDPOQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.91
Rot. Bonds7

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide (PubChem CID 119823656) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide
PubChem CID119823656
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CSc2nccn2C)o1)C1CCNCC1
InChIInChI=1S/C18H26N4O2S/c1-3-11-22(14-6-8-19-9-7-14)17(23)16-5-4-15(24-16)13-25-18-20-10-12-21(18)2/h4-5,10,12,14,19H,3,6-9,11,13H2,1-2H3
InChIKeyIDKLJKKYYLDPOQ-UHFFFAOYSA-N
XLogP2.91
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide 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

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 119530421
N-(2-aminoethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 120886036
5-methyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 60805408
N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
CID 52714765
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60555051
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60515907
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79721164
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
5-(2-fluorophenyl)-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823505

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide (CID 119823656) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide is CCCN(C(=O)c1ccc(CSc2nccn2C)o1)C1CCNCC1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide?
The InChIKey is IDKLJKKYYLDPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-11-22(14-6-8-19-9-7-14)17(23)16-5-4-15(24-16)13-25-18-20-10-12-21(18)2/h4-5,10,12,14,19H,3,6-9,11,13H2,1-2H3.
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide is sourced from PubChem (CID 119823656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).