3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol

C10H18N2OS — CID 79254662

IUPAC3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
SMILESCC(NC(CO)C(C)C)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-7(2)9(6-13)12-8(3)10-11-4-5-14-10/h4-5,7-9,12-13H,6H2,1-3H3
InChIKeyQQARGDOAADXIQY-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.81
Rot. Bonds5

About 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol

3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol (PubChem CID 79254662) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
PubChem CID79254662
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
SMILESCC(NC(CO)C(C)C)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-7(2)9(6-13)12-8(3)10-11-4-5-14-10/h4-5,7-9,12-13H,6H2,1-3H3
InChIKeyQQARGDOAADXIQY-UHFFFAOYSA-N
XLogP1.81
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
CID 64993357
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol (CID 79254662) is 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol is CC(NC(CO)C(C)C)c1nccs1.
What is the InChIKey of 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The InChIKey is QQARGDOAADXIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)9(6-13)12-8(3)10-11-4-5-14-10/h4-5,7-9,12-13H,6H2,1-3H3.
What are the key properties of 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol?
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 79254662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).