[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

C12H21N3S — CID 104692480

IUPAC[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCCCN1c1ncc(CN)s1
InChIInChI=1S/C12H21N3S/c1-2-10-6-4-3-5-7-15(10)12-14-9-11(8-13)16-12/h9-10H,2-8,13H2,1H3
InChIKeyYZJDPCNBJMQGTN-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.76
Rot. Bonds3

About [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 104692480) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID104692480
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCCCN1c1ncc(CN)s1
InChIInChI=1S/C12H21N3S/c1-2-10-6-4-3-5-7-15(10)12-14-9-11(8-13)16-12/h9-10H,2-8,13H2,1H3
InChIKeyYZJDPCNBJMQGTN-UHFFFAOYSA-N
XLogP2.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62752011
2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
CID 104692502
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methanamine
CID 104688923
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 130548481
[1-(5-amino-1,3-thiazol-2-yl)piperidin-2-yl]methanol
CID 102767808
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (CID 104692480) is [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is CCC1CCCCCN1c1ncc(CN)s1.
What is the InChIKey of [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YZJDPCNBJMQGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-10-6-4-3-5-7-15(10)12-14-9-11(8-13)16-12/h9-10H,2-8,13H2,1H3.
What are the key properties of [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 104692480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).