(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol

C8H14N2OS — CID 58603986

IUPAC(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol
SMILESC[C@H](C[C@H](N)CO)c1cncs1
InChIInChI=1S/C8H14N2OS/c1-6(2-7(9)4-11)8-3-10-5-12-8/h3,5-7,11H,2,4,9H2,1H3/t6-,7+/m1/s1
InChIKeyFETJHUOMEUITRM-RQJHMYQMSA-N
MW186.28 g/mol
LogP0.96
Rot. Bonds4

About (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol

(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol (PubChem CID 58603986) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol
PubChem CID58603986
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol
SMILESC[C@H](C[C@H](N)CO)c1cncs1
InChIInChI=1S/C8H14N2OS/c1-6(2-7(9)4-11)8-3-10-5-12-8/h3,5-7,11H,2,4,9H2,1H3/t6-,7+/m1/s1
InChIKeyFETJHUOMEUITRM-RQJHMYQMSA-N
XLogP0.96
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-thiazol-5-yl)propan-1-ol
CID 115091714
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
(1S)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151701
3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
CID 55255831
1-(1,3-thiazol-5-yl)propan-1-amine
CID 67336934
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride
CID 71758291
chloro(1,3-thiazol-5-yl)methanamine
CID 67926841
5-(3-methylbutan-2-yl)-1,3-thiazole
CID 137491258
ethyl 2-(1,3-thiazol-5-yl)propanoate
CID 174611398
2-[(3S)-3-amino-4-hydroxy-1-(1,3-thiazol-5-yl)butyl]sulfanyl-4-chlorobenzonitrile
CID 156535709
2-[(3S)-3-amino-4-hydroxy-1-(1,3-thiazol-5-yl)butyl]sulfanyl-5-chloropyridine-3-carbonitrile
CID 91434419

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol?
The IUPAC name of (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol (CID 58603986) is (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol.
What is the SMILES notation for (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol?
The canonical SMILES for (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol is C[C@H](C[C@H](N)CO)c1cncs1.
What is the InChIKey of (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol?
The InChIKey is FETJHUOMEUITRM-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6(2-7(9)4-11)8-3-10-5-12-8/h3,5-7,11H,2,4,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol?
(2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-(1,3-thiazol-5-yl)pentan-1-ol is sourced from PubChem (CID 58603986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).