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

C13H24N2S — CID 61331008

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine
SMILESCCNC(CC)(c1nc(C)c(C)s1)C(C)C
InChIInChI=1S/C13H24N2S/c1-7-13(9(3)4,14-8-2)12-15-10(5)11(6)16-12/h9,14H,7-8H2,1-6H3
InChIKeySDBOLHWBWQQSJN-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.63
Rot. Bonds5

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

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine (PubChem CID 61331008) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine
PubChem CID61331008
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine
SMILESCCNC(CC)(c1nc(C)c(C)s1)C(C)C
InChIInChI=1S/C13H24N2S/c1-7-13(9(3)4,14-8-2)12-15-10(5)11(6)16-12/h9,14H,7-8H2,1-6H3
InChIKeySDBOLHWBWQQSJN-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine (CID 61331008) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine is CCNC(CC)(c1nc(C)c(C)s1)C(C)C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine?
The InChIKey is SDBOLHWBWQQSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-7-13(9(3)4,14-8-2)12-15-10(5)11(6)16-12/h9,14H,7-8H2,1-6H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2-methylpentan-3-amine is sourced from PubChem (CID 61331008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).