N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

C17H31N3S — CID 79383413

IUPACN-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCCC(CC)CC2)nc1C(C)C
InChIInChI=1S/C17H31N3S/c1-5-14-8-7-10-20(11-9-14)17-19-16(13(3)4)15(21-17)12-18-6-2/h13-14,18H,5-12H2,1-4H3
InChIKeyPYFQWBJBJZRHKD-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.39
Rot. Bonds6

About N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 79383413) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID79383413
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCCC(CC)CC2)nc1C(C)C
InChIInChI=1S/C17H31N3S/c1-5-14-8-7-10-20(11-9-14)17-19-16(13(3)4)15(21-17)12-18-6-2/h13-14,18H,5-12H2,1-4H3
InChIKeyPYFQWBJBJZRHKD-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79380919
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392674
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpiperidin-3-amine
CID 79382946
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 79392943
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79382698
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381940
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79381275
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396966
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395687

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 79383413) is N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCCC(CC)CC2)nc1C(C)C.
What is the InChIKey of N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is PYFQWBJBJZRHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-14-8-7-10-20(11-9-14)17-19-16(13(3)4)15(21-17)12-18-6-2/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 309.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79383413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).