N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide

C17H17N3O2S — CID 75375278

IUPACN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cccn3C)cs2)cc1
InChIInChI=1S/C17H17N3O2S/c1-20-9-3-4-15(20)16(21)18-10-13-11-23-17(19-13)12-5-7-14(22-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,18,21)
InChIKeyLEFVXNCUFIPQPP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.09
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 75375278) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID75375278
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cccn3C)cs2)cc1
InChIInChI=1S/C17H17N3O2S/c1-20-9-3-4-15(20)16(21)18-10-13-11-23-17(19-13)12-5-7-14(22-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,18,21)
InChIKeyLEFVXNCUFIPQPP-UHFFFAOYSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666393
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97384488
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111182045
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 39868246

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 75375278) is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide is COc1ccc(-c2nc(CNC(=O)c3cccn3C)cs2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LEFVXNCUFIPQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20-9-3-4-15(20)16(21)18-10-13-11-23-17(19-13)12-5-7-14(22-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,18,21).
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 75375278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).