3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol

C8H14N2O2S — CID 130574302

IUPAC3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol
SMILESCOc1nc(C(C)(O)C(C)N)cs1
InChIInChI=1S/C8H14N2O2S/c1-5(9)8(2,11)6-4-13-7(10-6)12-3/h4-5,11H,9H2,1-3H3
InChIKeyBTKMPECIDPYFEV-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.71
Rot. Bonds3

About 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol

3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol (PubChem CID 130574302) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol
PubChem CID130574302
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol
SMILESCOc1nc(C(C)(O)C(C)N)cs1
InChIInChI=1S/C8H14N2O2S/c1-5(9)8(2,11)6-4-13-7(10-6)12-3/h4-5,11H,9H2,1-3H3
InChIKeyBTKMPECIDPYFEV-UHFFFAOYSA-N
XLogP0.71
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-2-(2-methoxy-1,3-thiazol-4-yl)propan-2-ol
CID 130571267
2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine
CID 82598532
2-methoxy-4-propan-2-yl-1,3-thiazole
CID 18736803
[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate
CID 175557539
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol
CID 130574391
(2,2-dimethylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanamine
CID 130571376
2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369939
5-(2-methoxy-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 130571395
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
4-[(4-tert-butyl-1,3-thiazol-2-yl)oxy]aniline
CID 66523732
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol?
The IUPAC name of 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol (CID 130574302) is 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol.
What is the SMILES notation for 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol?
The canonical SMILES for 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol is COc1nc(C(C)(O)C(C)N)cs1.
What is the InChIKey of 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol?
The InChIKey is BTKMPECIDPYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-5(9)8(2,11)6-4-13-7(10-6)12-3/h4-5,11H,9H2,1-3H3.
What are the key properties of 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol?
3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol has a molecular weight of 202.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxy-1,3-thiazol-4-yl)butan-2-ol is sourced from PubChem (CID 130574302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).