3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine

C11H20N2S — CID 63843497

IUPAC3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCc1cncs1
InChIInChI=1S/C11H20N2S/c1-4-10(5-2)9(3)13-7-11-6-12-8-14-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyXFAZRKMCFZNLCH-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.06
Rot. Bonds6

About 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine

3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine (PubChem CID 63843497) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
PubChem CID63843497
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
SMILESCCC(CC)C(C)NCc1cncs1
InChIInChI=1S/C11H20N2S/c1-4-10(5-2)9(3)13-7-11-6-12-8-14-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyXFAZRKMCFZNLCH-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
N-(1,3-thiazol-5-ylmethyl)heptan-3-amine
CID 104585423
(3R)-3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 103854616
3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 81421993
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
3-ethyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 63843307
N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
CID 94578982
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
The IUPAC name of 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine (CID 63843497) is 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine is CCC(CC)C(C)NCc1cncs1.
What is the InChIKey of 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
The InChIKey is XFAZRKMCFZNLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-10(5-2)9(3)13-7-11-6-12-8-14-11/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine?
3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine is sourced from PubChem (CID 63843497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).