N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C17H30N2S — CID 80610580

IUPACN-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(C2CCCCCCC2)nc1C
InChIInChI=1S/C17H30N2S/c1-4-12-18-13(2)16-14(3)19-17(20-16)15-10-8-6-5-7-9-11-15/h13,15,18H,4-12H2,1-3H3
InChIKeyQQKNQMGWWJHRLU-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.34
Rot. Bonds5

About N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 80610580) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID80610580
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(C2CCCCCCC2)nc1C
InChIInChI=1S/C17H30N2S/c1-4-12-18-13(2)16-14(3)19-17(20-16)15-10-8-6-5-7-9-11-15/h13,15,18H,4-12H2,1-3H3
InChIKeyQQKNQMGWWJHRLU-UHFFFAOYSA-N
XLogP5.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63654925
2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 116885510
4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
2-amino-1-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 116886750
N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62754305
N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62750048
N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771560
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62751228
N-[1-[2-(1-ethoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774276
N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115713252
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 80610580) is N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1sc(C2CCCCCCC2)nc1C.
What is the InChIKey of N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is QQKNQMGWWJHRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-12-18-13(2)16-14(3)19-17(20-16)15-10-8-6-5-7-9-11-15/h13,15,18H,4-12H2,1-3H3.
What are the key properties of N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80610580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).