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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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).