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

C9H16N2OS — CID 22843543

IUPAC(1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCC(C)CC(N)[C@@H](O)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-6(2)5-7(10)8(12)9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3/t7?,8-/m1/s1
InChIKeyQGTKXTMFQGPWLL-BRFYHDHCSA-N
MW200.31 g/mol
LogP1.55
Rot. Bonds4

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

(1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 22843543) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name(1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
PubChem CID22843543
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCC(C)CC(N)[C@@H](O)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-6(2)5-7(10)8(12)9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3/t7?,8-/m1/s1
InChIKeyQGTKXTMFQGPWLL-BRFYHDHCSA-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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Related Compounds

(2S)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol
CID 5288721
Cyclopropyl(1,3-thiazol-2-yl)methanol
CID 22406973
(Piperidin-4-yl)(1,3-thiazol-2-yl)methanol dihydrochloride
CID 155970646
(2S)-2-amino-5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 176185244
(2S)-2-amino-5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-1-ol;hydrochloride
CID 176185380
(2S)-2-amino-6,6,6-trifluoro-1-(1,3-thiazol-2-yl)hexan-1-ol
CID 176185383
(2S)-2-amino-6,6,6-trifluoro-1-(1,3-thiazol-2-yl)hexan-1-ol;hydrochloride
CID 176185439
2-Aminoacetaldehyde;butan-2-ol;5,5,5-trifluoro-2-(methylamino)-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 176679616
4-methoxy-N,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 103028589
4-Methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 103028590
N-ethyl-4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 103028591
4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 103028592

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol (CID 22843543) is (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol is CC(C)CC(N)[C@@H](O)c1nccs1.
What is the InChIKey of (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is QGTKXTMFQGPWLL-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(2)5-7(10)8(12)9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
(1R)-2-amino-4-methyl-1-(1,3-thiazol-2-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 (1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 22843543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).