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

C14H26N2S — CID 63238391

IUPAC5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCCc1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-5-11(3)9-13(6-2)15-8-7-14-16-12(4)10-17-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyWZQDQWQFRTZSGA-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.80
Rot. Bonds8

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

5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine (PubChem CID 63238391) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
PubChem CID63238391
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCCc1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-5-11(3)9-13(6-2)15-8-7-14-16-12(4)10-17-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyWZQDQWQFRTZSGA-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63946760
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-methylheptan-3-amine
CID 43094200
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
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238630
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 63238783
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
CID 63238583
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 63238910

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
The IUPAC name of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine (CID 63238391) is 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine.
What is the SMILES notation for 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
The canonical SMILES for 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine is CCC(C)CC(CC)NCCc1nc(C)cs1.
What is the InChIKey of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
The InChIKey is WZQDQWQFRTZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-11(3)9-13(6-2)15-8-7-14-16-12(4)10-17-14/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine?
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine has a molecular weight of 254.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine is sourced from PubChem (CID 63238391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).