2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide

C14H23N3O3S — CID 91110101

IUPAC2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide
SMILESCC(NC(=O)C(O)C(C)C)C(=O)N(c1nccs1)C(C)C
InChIInChI=1S/C14H23N3O3S/c1-8(2)11(18)12(19)16-10(5)13(20)17(9(3)4)14-15-6-7-21-14/h6-11,18H,1-5H3,(H,16,19)
InChIKeyRKRDDQAQKOSIKC-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.41
Rot. Bonds6

About 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide

2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide (PubChem CID 91110101) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide
PubChem CID91110101
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide
SMILESCC(NC(=O)C(O)C(C)C)C(=O)N(c1nccs1)C(C)C
InChIInChI=1S/C14H23N3O3S/c1-8(2)11(18)12(19)16-10(5)13(20)17(9(3)4)14-15-6-7-21-14/h6-11,18H,1-5H3,(H,16,19)
InChIKeyRKRDDQAQKOSIKC-UHFFFAOYSA-N
XLogP1.41
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide (CID 91110101) is 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide is CC(NC(=O)C(O)C(C)C)C(=O)N(c1nccs1)C(C)C.
What is the InChIKey of 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide?
The InChIKey is RKRDDQAQKOSIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-8(2)11(18)12(19)16-10(5)13(20)17(9(3)4)14-15-6-7-21-14/h6-11,18H,1-5H3,(H,16,19).
What are the key properties of 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide?
2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide has a molecular weight of 313.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide is sourced from PubChem (CID 91110101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).