(2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol

C7H12N2OS — CID 164661964

IUPAC(2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCC[C@@H](N)C(O)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-2-5(8)7(10)6-3-4-11-9-6/h3-5,7,10H,2,8H2,1H3/t5-,7?/m1/s1
InChIKeyNSWMDGGVGUDEPV-FOUAAFFMSA-N
MW172.25 g/mol
LogP0.91
Rot. Bonds3

About (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol

(2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol (PubChem CID 164661964) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol
PubChem CID164661964
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCC[C@@H](N)C(O)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-2-5(8)7(10)6-3-4-11-9-6/h3-5,7,10H,2,8H2,1H3/t5-,7?/m1/s1
InChIKeyNSWMDGGVGUDEPV-FOUAAFFMSA-N
XLogP0.91
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol
CID 18372918
1-(Isothiazol-3-yl)ethanol
CID 19017861
(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
3-Azido-1-(1,2-thiazol-3-yl)propan-1-ol
CID 91451221
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 112489533
3-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 126985727
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
1-(1,2-Thiazol-3-yl)propane-1,2-diol
CID 130604797
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130690765

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol?
The IUPAC name of (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol (CID 164661964) is (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol.
What is the SMILES notation for (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol?
The canonical SMILES for (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol is CC[C@@H](N)C(O)c1ccsn1.
What is the InChIKey of (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol?
The InChIKey is NSWMDGGVGUDEPV-FOUAAFFMSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-5(8)7(10)6-3-4-11-9-6/h3-5,7,10H,2,8H2,1H3/t5-,7?/m1/s1.
What are the key properties of (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol?
(2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1,2-thiazol-3-yl)butan-1-ol is sourced from PubChem (CID 164661964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).