(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride

C13H17ClN4O3S — CID 119274954

IUPAC(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)N)n2)o1.Cl
InChIInChI=1S/C13H16N4O3S.ClH/c1-7(14)12(19)17-13-16-10(6-21-13)11-4-3-9(20-11)5-15-8(2)18;/h3-4,6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17,19);1H/t7-;/m1./s1
InChIKeyFZKWYIWKKQPPKT-OGFXRTJISA-N
MW344.82 g/mol
LogP1.75
Rot. Bonds5

About (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride

(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride (PubChem CID 119274954) has the molecular formula C13H17ClN4O3S and a molecular weight of 344.82 g/mol. Its IUPAC name is (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
PubChem CID119274954
Molecular FormulaC13H17ClN4O3S
Molecular Weight344.82 g/mol
Exact Mass344.07
IUPAC Name(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)N)n2)o1.Cl
InChIInChI=1S/C13H16N4O3S.ClH/c1-7(14)12(19)17-13-16-10(6-21-13)11-4-3-9(20-11)5-15-8(2)18;/h3-4,6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17,19);1H/t7-;/m1./s1
InChIKeyFZKWYIWKKQPPKT-OGFXRTJISA-N
XLogP1.75
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride with MolForge

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Related Compounds

(2S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-amino-4-methylpentanamide
CID 119696379
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 36540505
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]-2-methyl-3-phenylsulfanylpropanamide
CID 86933488
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 24570788
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
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]-7-aminoheptanamide
CID 119696335
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[[5-[2-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54210566
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride?
The IUPAC name of (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride (CID 119274954) is (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride is CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)N)n2)o1.Cl.
What is the InChIKey of (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride?
The InChIKey is FZKWYIWKKQPPKT-OGFXRTJISA-N. The full InChI is InChI=1S/C13H16N4O3S.ClH/c1-7(14)12(19)17-13-16-10(6-21-13)11-4-3-9(20-11)5-15-8(2)18;/h3-4,6-7H,5,14H2,1-2H3,(H,15,18)(H,16,17,19);1H/t7-;/m1./s1.
What are the key properties of (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride?
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride has a molecular weight of 344.82 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride is sourced from PubChem (CID 119274954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).