3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol

C11H20N2OS — CID 111114947

IUPAC3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCc1cscn1
InChIInChI=1S/C11H20N2OS/c1-3-9(4-2)11(14)6-12-5-10-7-15-8-13-10/h7-9,11-12,14H,3-6H2,1-2H3
InChIKeyFCMLLNNAZTXDHO-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.03
Rot. Bonds7

About 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol

3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol (PubChem CID 111114947) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
PubChem CID111114947
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCc1cscn1
InChIInChI=1S/C11H20N2OS/c1-3-9(4-2)11(14)6-12-5-10-7-15-8-13-10/h7-9,11-12,14H,3-6H2,1-2H3
InChIKeyFCMLLNNAZTXDHO-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
CID 111425443
3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 106284785
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol (CID 111114947) is 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol is CCC(CC)C(O)CNCc1cscn1.
What is the InChIKey of 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol?
The InChIKey is FCMLLNNAZTXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-9(4-2)11(14)6-12-5-10-7-15-8-13-10/h7-9,11-12,14H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol?
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 111114947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).