N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C17H17N3O2S — CID 31978588

IUPACN-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3ccc(C)cc3)n2)o1
InChIInChI=1S/C17H17N3O2S/c1-11-3-5-13(6-4-11)19-17-20-15(10-23-17)16-8-7-14(22-16)9-18-12(2)21/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyATOJYOKXKMUBMQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.09
Rot. Bonds5

About N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 31978588) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID31978588
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3ccc(C)cc3)n2)o1
InChIInChI=1S/C17H17N3O2S/c1-11-3-5-13(6-4-11)19-17-20-15(10-23-17)16-8-7-14(22-16)9-18-12(2)21/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyATOJYOKXKMUBMQ-UHFFFAOYSA-N
XLogP4.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 52875608
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978592
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24570817
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-hydroxy-4-methylbenzamide
CID 36540476
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 24644942
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887
N-[[5-[2-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54210566
(E)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 27297928

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 31978588) is N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(Nc3ccc(C)cc3)n2)o1.
What is the InChIKey of N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is ATOJYOKXKMUBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-3-5-13(6-4-11)19-17-20-15(10-23-17)16-8-7-14(22-16)9-18-12(2)21/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 31978588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).