N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

C16H27N3S — CID 82437923

IUPACN-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CN2CCCCCC2)nc1C1CC1
InChIInChI=1S/C16H27N3S/c1-2-17-11-14-16(13-7-8-13)18-15(20-14)12-19-9-5-3-4-6-10-19/h13,17H,2-12H2,1H3
InChIKeyWALSGFJCMSLCEA-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.51
Rot. Bonds6

About N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82437923) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82437923
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CN2CCCCCC2)nc1C1CC1
InChIInChI=1S/C16H27N3S/c1-2-17-11-14-16(13-7-8-13)18-15(20-14)12-19-9-5-3-4-6-10-19/h13,17H,2-12H2,1H3
InChIKeyWALSGFJCMSLCEA-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82437800
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
CID 82437678
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157
N-[[4-cyclopropyl-2-(1-ethoxycyclopentyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367152
2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437711
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367162
N-[[4-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103476490

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82437923) is N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CN2CCCCCC2)nc1C1CC1.
What is the InChIKey of N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WALSGFJCMSLCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-2-17-11-14-16(13-7-8-13)18-15(20-14)12-19-9-5-3-4-6-10-19/h13,17H,2-12H2,1H3.
What are the key properties of N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82437923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).