(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol

C9H16N2OS — CID 70041804

IUPAC(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
SMILESCC(C)C[C@@H](N)[C@H](O)c1ccsn1
InChIInChI=1S/C9H16N2OS/c1-6(2)5-7(10)9(12)8-3-4-13-11-8/h3-4,6-7,9,12H,5,10H2,1-2H3/t7-,9+/m1/s1
InChIKeyJLFNJVVFRRHIIL-APPZFPTMSA-N
MW200.31 g/mol
LogP1.55
Rot. Bonds4

About (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol

(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol (PubChem CID 70041804) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
PubChem CID70041804
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
SMILESCC(C)C[C@@H](N)[C@H](O)c1ccsn1
InChIInChI=1S/C9H16N2OS/c1-6(2)5-7(10)9(12)8-3-4-13-11-8/h3-4,6-7,9,12H,5,10H2,1-2H3/t7-,9+/m1/s1
InChIKeyJLFNJVVFRRHIIL-APPZFPTMSA-N
XLogP1.55
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol?
The IUPAC name of (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol (CID 70041804) is (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol is CC(C)C[C@@H](N)[C@H](O)c1ccsn1.
What is the InChIKey of (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol?
The InChIKey is JLFNJVVFRRHIIL-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(2)5-7(10)9(12)8-3-4-13-11-8/h3-4,6-7,9,12H,5,10H2,1-2H3/t7-,9+/m1/s1.
What are the key properties of (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol?
(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol is sourced from PubChem (CID 70041804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).