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

C11H20N2S — CID 112643040

IUPACN-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
SMILESCCNC(Cc1cncs1)C(C)CC
InChIInChI=1S/C11H20N2S/c1-4-9(3)11(13-5-2)6-10-7-12-8-14-10/h7-9,11,13H,4-6H2,1-3H3
InChIKeyYPIFLPHKKUFGRX-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.71
Rot. Bonds6

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

N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine (PubChem CID 112643040) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
PubChem CID112643040
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
SMILESCCNC(Cc1cncs1)C(C)CC
InChIInChI=1S/C11H20N2S/c1-4-9(3)11(13-5-2)6-10-7-12-8-14-10/h7-9,11,13H,4-6H2,1-3H3
InChIKeyYPIFLPHKKUFGRX-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116722677
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
CID 105030464
1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773805
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182
[3-methoxy-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105246868
N-ethyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642914
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116765952
3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 63843497
N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645544
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030313
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine (CID 112643040) is N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine is CCNC(Cc1cncs1)C(C)CC.
What is the InChIKey of N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
The InChIKey is YPIFLPHKKUFGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-9(3)11(13-5-2)6-10-7-12-8-14-10/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine?
N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 112643040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).