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

C13H24N2S — CID 115677197

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1ncc(C)s1
InChIInChI=1S/C13H24N2S/c1-4-6-12(7-5-2)14-9-8-13-15-10-11(3)16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyJAJPRYJMIYXPMV-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.55
Rot. Bonds8

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

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine (PubChem CID 115677197) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine
PubChem CID115677197
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1ncc(C)s1
InChIInChI=1S/C13H24N2S/c1-4-6-12(7-5-2)14-9-8-13-15-10-11(3)16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyJAJPRYJMIYXPMV-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
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2-Butyl-5-methylthiazole
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2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
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(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
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CID 60983127

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine (CID 115677197) is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine is CCCC(CCC)NCCc1ncc(C)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine?
The InChIKey is JAJPRYJMIYXPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-6-12(7-5-2)14-9-8-13-15-10-11(3)16-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine?
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine has a molecular weight of 240.42 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine is sourced from PubChem (CID 115677197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).