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

C12H22N4S — CID 66389792

IUPAC1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CN2CCCN(C)CC2)cs1
InChIInChI=1S/C12H22N4S/c1-10(13)12-14-11(9-17-12)8-16-5-3-4-15(2)6-7-16/h9-10H,3-8,13H2,1-2H3
InChIKeyQOIYSAAMGOIBNJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.30
Rot. Bonds3

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

1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66389792) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66389792
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CN2CCCN(C)CC2)cs1
InChIInChI=1S/C12H22N4S/c1-10(13)12-14-11(9-17-12)8-16-5-3-4-15(2)6-7-16/h9-10H,3-8,13H2,1-2H3
InChIKeyQOIYSAAMGOIBNJ-UHFFFAOYSA-N
XLogP1.30
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384874
1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388837
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
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-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
4-(bromomethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 82515456
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 66388844
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
3-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 61487318

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 66389792) is 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(CN2CCCN(C)CC2)cs1.
What is the InChIKey of 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is QOIYSAAMGOIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10(13)12-14-11(9-17-12)8-16-5-3-4-15(2)6-7-16/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66389792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).