2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol

C7H12N2OS — CID 130840879

IUPAC2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
SMILESCC(C)(N)C(O)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-7(2,8)6(10)5-3-4-9-11-5/h3-4,6,10H,8H2,1-2H3
InChIKeyNJNTXOWFELUZKE-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.91
Rot. Bonds2

About 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol

2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol (PubChem CID 130840879) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
PubChem CID130840879
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
SMILESCC(C)(N)C(O)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-7(2,8)6(10)5-3-4-9-11-5/h3-4,6,10H,8H2,1-2H3
InChIKeyNJNTXOWFELUZKE-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
Ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
CID 21271229
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130690765
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
4-Amino-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130900773
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130900775
2-(Dimethylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 130917847
3-Amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 130927731
2,2,3,3-Tetramethyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 130952217

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol (CID 130840879) is 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol is CC(C)(N)C(O)c1ccns1.
What is the InChIKey of 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is NJNTXOWFELUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-7(2,8)6(10)5-3-4-9-11-5/h3-4,6,10H,8H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol?
2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 130840879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).