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

C14H25N3S — CID 66386486

IUPAC2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC1(C)CCCN(Cc2csc(CCN)n2)CC1
InChIInChI=1S/C14H25N3S/c1-14(2)5-3-8-17(9-6-14)10-12-11-18-13(16-12)4-7-15/h11H,3-10,15H2,1-2H3
InChIKeyPBXYYXFEIVUPRP-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds4

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

2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66386486) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66386486
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC1(C)CCCN(Cc2csc(CCN)n2)CC1
InChIInChI=1S/C14H25N3S/c1-14(2)5-3-8-17(9-6-14)10-12-11-18-13(16-12)4-7-15/h11H,3-10,15H2,1-2H3
InChIKeyPBXYYXFEIVUPRP-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.66
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
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66387478
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66390760
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 65286962
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 63137440
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120771298

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 66386486) is 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is CC1(C)CCCN(Cc2csc(CCN)n2)CC1.
What is the InChIKey of 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is PBXYYXFEIVUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2)5-3-8-17(9-6-14)10-12-11-18-13(16-12)4-7-15/h11H,3-10,15H2,1-2H3.
What are the key properties of 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66386486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).