3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol

C11H20N2OS — CID 115714735

IUPAC3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1cncs1
InChIInChI=1S/C11H20N2OS/c1-4-11(14,5-2)7-13-9(3)10-6-12-8-15-10/h6,8-9,13-14H,4-5,7H2,1-3H3
InChIKeyXFKGIFAIBKKKIL-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.34
Rot. Bonds6

About 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol

3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 115714735) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
PubChem CID115714735
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1cncs1
InChIInChI=1S/C11H20N2OS/c1-4-11(14,5-2)7-13-9(3)10-6-12-8-15-10/h6,8-9,13-14H,4-5,7H2,1-3H3
InChIKeyXFKGIFAIBKKKIL-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
CID 115704509
tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
CID 103787700
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103779588
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol (CID 115714735) is 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1cncs1.
What is the InChIKey of 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is XFKGIFAIBKKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-11(14,5-2)7-13-9(3)10-6-12-8-15-10/h6,8-9,13-14H,4-5,7H2,1-3H3.
What are the key properties of 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol?
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 228.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 115714735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).