3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide

C17H19N3O2S — CID 56792759

IUPAC3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2oc3ccccc3c2CN(C)C)s1
InChIInChI=1S/C17H19N3O2S/c1-11-18-8-12(23-11)9-19-17(21)16-14(10-20(2)3)13-6-4-5-7-15(13)22-16/h4-8H,9-10H2,1-3H3,(H,19,21)
InChIKeySYTFFUHVHAYYML-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.19
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 56792759) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID56792759
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ncc(CNC(=O)c2oc3ccccc3c2CN(C)C)s1
InChIInChI=1S/C17H19N3O2S/c1-11-18-8-12(23-11)9-19-17(21)16-14(10-20(2)3)13-6-4-5-7-15(13)22-16/h4-8H,9-10H2,1-3H3,(H,19,21)
InChIKeySYTFFUHVHAYYML-UHFFFAOYSA-N
XLogP3.19
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamide
CID 24793046
N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2673057
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 24819350
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 4223864
N-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)benzofuran-2-carboxamide
CID 71795528
N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163379940
N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163379956
N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380146
N-[(3-fluorooxetan-3-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380794
N-[(4-fluorooxan-4-yl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380837
N-[(2R)-1-amino-3-(difluoromethoxy)-1-oxopropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 178254398
N-[(2S)-1-amino-3-(difluoromethoxy)-1-oxopropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 178254399

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 56792759) is 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ncc(CNC(=O)c2oc3ccccc3c2CN(C)C)s1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SYTFFUHVHAYYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-18-8-12(23-11)9-19-17(21)16-14(10-20(2)3)13-6-4-5-7-15(13)22-16/h4-8H,9-10H2,1-3H3,(H,19,21).
What are the key properties of 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56792759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).