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

C16H29N3S — CID 79393593

IUPACN-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCCC(C)CC2)nc1C(C)C
InChIInChI=1S/C16H29N3S/c1-5-17-11-14-15(12(2)3)18-16(20-14)19-9-6-7-13(4)8-10-19/h12-13,17H,5-11H2,1-4H3
InChIKeyGISYIAAGHOFJRG-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.00
Rot. Bonds5

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

N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 79393593) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID79393593
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCCC(C)CC2)nc1C(C)C
InChIInChI=1S/C16H29N3S/c1-5-17-11-14-15(12(2)3)18-16(20-14)19-9-6-7-13(4)8-10-19/h12-13,17H,5-11H2,1-4H3
InChIKeyGISYIAAGHOFJRG-UHFFFAOYSA-N
XLogP4.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79383413
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79381275
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79380919
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpiperidin-3-amine
CID 79382946
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381277
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 79392943
[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435654
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392674
2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393043
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 79393593) is N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCCC(C)CC2)nc1C(C)C.
What is the InChIKey of N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is GISYIAAGHOFJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-17-11-14-15(12(2)3)18-16(20-14)19-9-6-7-13(4)8-10-19/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 295.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79393593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).