N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide

C13H15N3O3S — CID 9138734

IUPACN-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nccs1
InChIInChI=1S/C13H15N3O3S/c1-8(2)10(12(18)16-13-14-5-7-20-13)15-11(17)9-4-3-6-19-9/h3-8,10H,1-2H3,(H,15,17)(H,14,16,18)/t10-/m0/s1
InChIKeySYYLZHIZBPBFPL-JTQLQIEISA-N
MW293.35 g/mol
LogP2.13
Rot. Bonds5

About N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide (PubChem CID 9138734) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide
PubChem CID9138734
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nccs1
InChIInChI=1S/C13H15N3O3S/c1-8(2)10(12(18)16-13-14-5-7-20-13)15-11(17)9-4-3-6-19-9/h3-8,10H,1-2H3,(H,15,17)(H,14,16,18)/t10-/m0/s1
InChIKeySYYLZHIZBPBFPL-JTQLQIEISA-N
XLogP2.13
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide (CID 9138734) is N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nccs1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide?
The InChIKey is SYYLZHIZBPBFPL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8(2)10(12(18)16-13-14-5-7-20-13)15-11(17)9-4-3-6-19-9/h3-8,10H,1-2H3,(H,15,17)(H,14,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide?
N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 9138734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).