(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol

C10H18N2OS — CID 103922658

IUPAC(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1csc(C)n1
InChIInChI=1S/C10H18N2OS/c1-4-9(5-13)11-7(2)10-6-14-8(3)12-10/h6-7,9,11,13H,4-5H2,1-3H3/t7?,9-/m1/s1
InChIKeyWQOLZSNSLXZLQN-NHSZFOGYSA-N
MW214.33 g/mol
LogP1.87
Rot. Bonds5

About (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol

(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol (PubChem CID 103922658) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
PubChem CID103922658
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1csc(C)n1
InChIInChI=1S/C10H18N2OS/c1-4-9(5-13)11-7(2)10-6-14-8(3)12-10/h6-7,9,11,13H,4-5H2,1-3H3/t7?,9-/m1/s1
InChIKeyWQOLZSNSLXZLQN-NHSZFOGYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol with MolForge

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Related Compounds

3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 115748046
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723777
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol (CID 103922658) is (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol is CC[C@H](CO)NC(C)c1csc(C)n1.
What is the InChIKey of (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol?
The InChIKey is WQOLZSNSLXZLQN-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-9(5-13)11-7(2)10-6-14-8(3)12-10/h6-7,9,11,13H,4-5H2,1-3H3/t7?,9-/m1/s1.
What are the key properties of (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol?
(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103922658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).