5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide

C15H16N4O2S2 — CID 51087547

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1nc(CNC(=O)c2ccc(CSc3nccn3C)o2)cs1
InChIInChI=1S/C15H16N4O2S2/c1-10-18-11(8-22-10)7-17-14(20)13-4-3-12(21-13)9-23-15-16-5-6-19(15)2/h3-6,8H,7,9H2,1-2H3,(H,17,20)
InChIKeyKBFSKXXMRDWUJU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.00
Rot. Bonds6

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 51087547) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
PubChem CID51087547
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1nc(CNC(=O)c2ccc(CSc3nccn3C)o2)cs1
InChIInChI=1S/C15H16N4O2S2/c1-10-18-11(8-22-10)7-17-14(20)13-4-3-12(21-13)9-23-15-16-5-6-19(15)2/h3-6,8H,7,9H2,1-2H3,(H,17,20)
InChIKeyKBFSKXXMRDWUJU-UHFFFAOYSA-N
XLogP3.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-(1-benzofuran-2-ylmethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 87018610
N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060085
N-[[4-(difluoromethoxy)phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35412214
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60515907
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
CID 55573363
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 120945905
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 166189885

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide (CID 51087547) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide is Cc1nc(CNC(=O)c2ccc(CSc3nccn3C)o2)cs1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is KBFSKXXMRDWUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-10-18-11(8-22-10)7-17-14(20)13-4-3-12(21-13)9-23-15-16-5-6-19(15)2/h3-6,8H,7,9H2,1-2H3,(H,17,20).
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 51087547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).