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

C6H10N2OS — CID 130752218

IUPAC1-amino-2-(1,2-thiazol-3-yl)propan-2-ol
SMILESCC(O)(CN)c1ccsn1
InChIInChI=1S/C6H10N2OS/c1-6(9,4-7)5-2-3-10-8-5/h2-3,9H,4,7H2,1H3
InChIKeyPHLLKXSWCCKACR-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.31
Rot. Bonds2

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

1-amino-2-(1,2-thiazol-3-yl)propan-2-ol (PubChem CID 130752218) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(1,2-thiazol-3-yl)propan-2-ol
PubChem CID130752218
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-amino-2-(1,2-thiazol-3-yl)propan-2-ol
SMILESCC(O)(CN)c1ccsn1
InChIInChI=1S/C6H10N2OS/c1-6(9,4-7)5-2-3-10-8-5/h2-3,9H,4,7H2,1H3
InChIKeyPHLLKXSWCCKACR-UHFFFAOYSA-N
XLogP0.31
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.31
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
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
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
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
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
1-Methyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 130704989

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol (CID 130752218) is 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol is CC(O)(CN)c1ccsn1.
What is the InChIKey of 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol?
The InChIKey is PHLLKXSWCCKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-6(9,4-7)5-2-3-10-8-5/h2-3,9H,4,7H2,1H3.
What are the key properties of 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol?
1-amino-2-(1,2-thiazol-3-yl)propan-2-ol has a molecular weight of 158.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1,2-thiazol-3-yl)propan-2-ol is sourced from PubChem (CID 130752218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).