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

C10H18N2OS — CID 115888511

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

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

3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol (PubChem CID 115888511) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
PubChem CID115888511
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
SMILESCC(NCC(O)C(C)C)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-7(2)9(13)6-12-8(3)10-11-4-5-14-10/h4-5,7-9,12-13H,6H2,1-3H3
InChIKeyWXFCTHRLZYCOQO-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

3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
CID 64993003
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 114172177
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 112742116
2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol (CID 115888511) is 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol is CC(NCC(O)C(C)C)c1nccs1.
What is the InChIKey of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol?
The InChIKey is WXFCTHRLZYCOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)9(13)6-12-8(3)10-11-4-5-14-10/h4-5,7-9,12-13H,6H2,1-3H3.
What are the key properties of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol?
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-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-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 115888511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).