N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide

C17H16N4O4S — CID 17406432

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cn1
InChIInChI=1S/C17H16N4O4S/c1-10(22)18-8-12-4-5-14(25-12)13-9-26-17(20-13)21-16(23)11-3-6-15(24-2)19-7-11/h3-7,9H,8H2,1-2H3,(H,18,22)(H,20,21,23)
InChIKeyRAPWBXKAZZVZQI-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.70
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide (PubChem CID 17406432) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
PubChem CID17406432
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cn1
InChIInChI=1S/C17H16N4O4S/c1-10(22)18-8-12-4-5-14(25-12)13-9-26-17(20-13)21-16(23)11-3-6-15(24-2)19-7-11/h3-7,9H,8H2,1-2H3,(H,18,22)(H,20,21,23)
InChIKeyRAPWBXKAZZVZQI-UHFFFAOYSA-N
XLogP2.70
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide
CID 42378203
6-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide
CID 17469627
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 24570801
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 24644942
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 36540569
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42378438
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide
CID 43034345
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide
CID 24570707
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55576425

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide (CID 17406432) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cn1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
The InChIKey is RAPWBXKAZZVZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-10(22)18-8-12-4-5-14(25-12)13-9-26-17(20-13)21-16(23)11-3-6-15(24-2)19-7-11/h3-7,9H,8H2,1-2H3,(H,18,22)(H,20,21,23).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 17406432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).