N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

C16H28N2OS — CID 114363814

IUPACN-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(C2(OC)CCCCC2)sc1CNCC
InChIInChI=1S/C16H28N2OS/c1-4-9-13-14(12-17-5-2)20-15(18-13)16(19-3)10-7-6-8-11-16/h17H,4-12H2,1-3H3
InChIKeyLNGBDMGIHRFMLP-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.01
Rot. Bonds7

About N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114363814) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114363814
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(C2(OC)CCCCC2)sc1CNCC
InChIInChI=1S/C16H28N2OS/c1-4-9-13-14(12-17-5-2)20-15(18-13)16(19-3)10-7-6-8-11-16/h17H,4-12H2,1-3H3
InChIKeyLNGBDMGIHRFMLP-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114363814) is N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(C2(OC)CCCCC2)sc1CNCC.
What is the InChIKey of N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is LNGBDMGIHRFMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-9-13-14(12-17-5-2)20-15(18-13)16(19-3)10-7-6-8-11-16/h17H,4-12H2,1-3H3.
What are the key properties of N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 296.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114363814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).