1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine

C12H21N3S — CID 65075080

IUPAC1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
SMILESCN1CCCC(NCCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-15-8-2-3-11(5-9-15)13-6-4-12-14-7-10-16-12/h7,10-11,13H,2-6,8-9H2,1H3
InChIKeyCHWWVJPGBKIWMI-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.76
Rot. Bonds4

About 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine

1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine (PubChem CID 65075080) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
PubChem CID65075080
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
SMILESCN1CCCC(NCCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-15-8-2-3-11(5-9-15)13-6-4-12-14-7-10-16-12/h7,10-11,13H,2-6,8-9H2,1H3
InChIKeyCHWWVJPGBKIWMI-UHFFFAOYSA-N
XLogP1.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55175411
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958
N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
CID 63242038
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 63829174

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine (CID 65075080) is 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine is CN1CCCC(NCCc2nccs2)CC1.
What is the InChIKey of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine?
The InChIKey is CHWWVJPGBKIWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-15-8-2-3-11(5-9-15)13-6-4-12-14-7-10-16-12/h7,10-11,13H,2-6,8-9H2,1H3.
What are the key properties of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine?
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine has a molecular weight of 239.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine is sourced from PubChem (CID 65075080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).