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

C7H12N2OS — CID 130688438

IUPAC3-amino-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(N)C(C)(O)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-5(8)7(2,10)6-3-4-11-9-6/h3-5,10H,8H2,1-2H3
InChIKeyOGDQFSDYQURLEQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.70
Rot. Bonds2

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

3-amino-2-(1,2-thiazol-3-yl)butan-2-ol (PubChem CID 130688438) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-2-(1,2-thiazol-3-yl)butan-2-ol
PubChem CID130688438
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-amino-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(N)C(C)(O)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-5(8)7(2,10)6-3-4-11-9-6/h3-5,10H,8H2,1-2H3
InChIKeyOGDQFSDYQURLEQ-UHFFFAOYSA-N
XLogP0.70
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130637739
(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
1,2-Dimethyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 126985701
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
1-Piperidin-4-yl-1-(1,2-thiazol-3-yl)ethanol
CID 127016493
3-Methyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
CID 130604943
4-Methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
CID 130624388
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
2-(1,2-Thiazol-3-yl)pentan-2-ol
CID 130634722
1-(1,2-Thiazol-3-yl)cyclohex-2-en-1-ol
CID 130649840

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol?
The IUPAC name of 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol (CID 130688438) is 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol?
The canonical SMILES for 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol is CC(N)C(C)(O)c1ccsn1.
What is the InChIKey of 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol?
The InChIKey is OGDQFSDYQURLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(8)7(2,10)6-3-4-11-9-6/h3-5,10H,8H2,1-2H3.
What are the key properties of 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol?
3-amino-2-(1,2-thiazol-3-yl)butan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,2-thiazol-3-yl)butan-2-ol is sourced from PubChem (CID 130688438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).