1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine

C16H29N3S — CID 66384874

IUPAC1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CN2CCCC(C(C)(C)C)CC2)cs1
InChIInChI=1S/C16H29N3S/c1-12(17)15-18-14(11-20-15)10-19-8-5-6-13(7-9-19)16(2,3)4/h11-13H,5-10,17H2,1-4H3
InChIKeyRAVOKGMKMCZGTI-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.81
Rot. Bonds3

About 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine

1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66384874) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66384874
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CN2CCCC(C(C)(C)C)CC2)cs1
InChIInChI=1S/C16H29N3S/c1-12(17)15-18-14(11-20-15)10-19-8-5-6-13(7-9-19)16(2,3)4/h11-13H,5-10,17H2,1-4H3
InChIKeyRAVOKGMKMCZGTI-UHFFFAOYSA-N
XLogP3.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384875
1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388837
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 55033011
1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine
CID 79934712
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
1-[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 83055721

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 66384874) is 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(CN2CCCC(C(C)(C)C)CC2)cs1.
What is the InChIKey of 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is RAVOKGMKMCZGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-12(17)15-18-14(11-20-15)10-19-8-5-6-13(7-9-19)16(2,3)4/h11-13H,5-10,17H2,1-4H3.
What are the key properties of 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66384874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).