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

C13H24N2S — CID 63946760

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NCCc1nc(C)cs1
InChIInChI=1S/C13H24N2S/c1-4-6-7-12(5-2)14-9-8-13-15-11(3)10-16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyVOINEBVFLUVMSA-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.55
Rot. Bonds8

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

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine (PubChem CID 63946760) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
PubChem CID63946760
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NCCc1nc(C)cs1
InChIInChI=1S/C13H24N2S/c1-4-6-7-12(5-2)14-9-8-13-15-11(3)10-16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyVOINEBVFLUVMSA-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

5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63238391
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 111449241
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
1-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115900037
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 63238910
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine (CID 63946760) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine is CCCCC(CC)NCCc1nc(C)cs1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
The InChIKey is VOINEBVFLUVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-6-7-12(5-2)14-9-8-13-15-11(3)10-16-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-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-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine is sourced from PubChem (CID 63946760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).