N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine

C18H32N2S — CID 114362515

IUPACN-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C2CCCCCCC2)nc1C(C)(C)C
InChIInChI=1S/C18H32N2S/c1-5-19-13-15-16(18(2,3)4)20-17(21-15)14-11-9-7-6-8-10-12-14/h14,19H,5-13H2,1-4H3
InChIKeyGTIIDTQVDNIYIM-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.38
Rot. Bonds4

About N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 114362515) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID114362515
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C2CCCCCCC2)nc1C(C)(C)C
InChIInChI=1S/C18H32N2S/c1-5-19-13-15-16(18(2,3)4)20-17(21-15)14-11-9-7-6-8-10-12-14/h14,19H,5-13H2,1-4H3
InChIKeyGTIIDTQVDNIYIM-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362536
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
N-[[4-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362534
(2-cyclohexyl-4-ethyl-1,3-thiazol-5-yl)methanol
CID 82429624
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82439416
N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362634
4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 107402320
N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363196

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 114362515) is N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNCc1sc(C2CCCCCCC2)nc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is GTIIDTQVDNIYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-19-13-15-16(18(2,3)4)20-17(21-15)14-11-9-7-6-8-10-12-14/h14,19H,5-13H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 308.54 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114362515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).