2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine

C15H28N2S — CID 61336143

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)(CCC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C15H28N2S/c1-7-10-16-15(6,9-8-11(2)3)14-17-12(4)13(5)18-14/h11,16H,7-10H2,1-6H3
InChIKeyYRZXUBIPONNIDU-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.41
Rot. Bonds7

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine (PubChem CID 61336143) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine
PubChem CID61336143
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)(CCC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C15H28N2S/c1-7-10-16-15(6,9-8-11(2)3)14-17-12(4)13(5)18-14/h11,16H,7-10H2,1-6H3
InChIKeyYRZXUBIPONNIDU-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine (CID 61336143) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine is CCCNC(C)(CCC(C)C)c1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine?
The InChIKey is YRZXUBIPONNIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-7-10-16-15(6,9-8-11(2)3)14-17-12(4)13(5)18-14/h11,16H,7-10H2,1-6H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine has a molecular weight of 268.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 61336143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).