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

C13H16N4O3S — CID 119696349

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C13H16N4O3S/c1-8(18)15-5-9-3-4-11(20-9)10-7-21-13(16-10)17-12(19)6-14-2/h3-4,7,14H,5-6H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyYTEBWJIRYJWMQI-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.20
Rot. Bonds6

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide (PubChem CID 119696349) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
PubChem CID119696349
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C13H16N4O3S/c1-8(18)15-5-9-3-4-11(20-9)10-7-21-13(16-10)17-12(19)6-14-2/h3-4,7,14H,5-6H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyYTEBWJIRYJWMQI-UHFFFAOYSA-N
XLogP1.20
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 35889870
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335
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-(4-tert-butylphenoxy)acetamide
CID 42378787
(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-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978588
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 42377650
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide (CID 119696349) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The InChIKey is YTEBWJIRYJWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8(18)15-5-9-3-4-11(20-9)10-7-21-13(16-10)17-12(19)6-14-2/h3-4,7,14H,5-6H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide has a molecular weight of 308.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 119696349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).