N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine

C13H24N2S — CID 115718378

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine
SMILESCc1nc(C)c(CCNC(C)CC(C)C)s1
InChIInChI=1S/C13H24N2S/c1-9(2)8-10(3)14-7-6-13-11(4)15-12(5)16-13/h9-10,14H,6-8H2,1-5H3
InChIKeyQTYHNOTZUASORT-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine (PubChem CID 115718378) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine
PubChem CID115718378
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine
SMILESCc1nc(C)c(CCNC(C)CC(C)C)s1
InChIInChI=1S/C13H24N2S/c1-9(2)8-10(3)14-7-6-13-11(4)15-12(5)16-13/h9-10,14H,6-8H2,1-5H3
InChIKeyQTYHNOTZUASORT-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 15670034
Manozodil
CID 72110
Thiazole, 5-(2-((3-(diethylamino)propyl)amino)ethyl)-4-methyl-, trihydrochloride
CID 205407
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-N-(1-methylethyl)-, hydrochloride
CID 3059982
1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
CID 45261526
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274632

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine (CID 115718378) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine is Cc1nc(C)c(CCNC(C)CC(C)C)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine?
The InChIKey is QTYHNOTZUASORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)8-10(3)14-7-6-13-11(4)15-12(5)16-13/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 115718378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).