(4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one

C10H16N2O2S2 — CID 56988961

IUPAC(4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one
SMILESCC(C)(CSc1nccs1)C(=O)[C@H](N)CO
InChIInChI=1S/C10H16N2O2S2/c1-10(2,8(14)7(11)5-13)6-16-9-12-3-4-15-9/h3-4,7,13H,5-6,11H2,1-2H3/t7-/m1/s1
InChIKeyDXBOBYKRQZRGOP-SSDOTTSWSA-N
MW260.38 g/mol
LogP1.15
Rot. Bonds6

About (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one

(4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one (PubChem CID 56988961) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one.

Molecular Properties

Compound Name(4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one
PubChem CID56988961
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name(4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one
SMILESCC(C)(CSc1nccs1)C(=O)[C@H](N)CO
InChIInChI=1S/C10H16N2O2S2/c1-10(2,8(14)7(11)5-13)6-16-9-12-3-4-15-9/h3-4,7,13H,5-6,11H2,1-2H3/t7-/m1/s1
InChIKeyDXBOBYKRQZRGOP-SSDOTTSWSA-N
XLogP1.15
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one with MolForge

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Related Compounds

(4R)-5-hydroxy-2-methyl-4-(methylamino)-1-sulfanyl-1-(1,3-thiazol-2-yl)pentan-3-one
CID 57218591
3-[(1-Hydroxy-3,3-dimethylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 70926856
(2S,3R)-2-amino-3-hydroxy-4,4-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pentanal
CID 88623604
2-Methyl-2-(propan-2-ylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 64819224
2-Methyl-2-(methylamino)-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 64819667
2-Amino-2-methyl-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 64820122
2-Methyl-2-(methylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 64820800
2-Methyl-2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 64820801
2-Amino-2-methyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 64821470
2-Amino-2-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 106811011
3-Amino-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 114370515
3-Amino-4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)pentan-1-ol
CID 114370517

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one?
The IUPAC name of (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one (CID 56988961) is (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one.
What is the SMILES notation for (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one?
The canonical SMILES for (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one is CC(C)(CSc1nccs1)C(=O)[C@H](N)CO.
What is the InChIKey of (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one?
The InChIKey is DXBOBYKRQZRGOP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-10(2,8(14)7(11)5-13)6-16-9-12-3-4-15-9/h3-4,7,13H,5-6,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one?
(4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one has a molecular weight of 260.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-hydroxy-2,2-dimethyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-3-one is sourced from PubChem (CID 56988961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).