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

C16H29N3OS — CID 114362634

IUPACN-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CN(CC)CCO2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-6-17-10-13-14(16(3,4)5)18-15(21-13)12-11-19(7-2)8-9-20-12/h12,17H,6-11H2,1-5H3
InChIKeyQFHQRUYKUOSKRL-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.94
Rot. Bonds5

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

N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114362634) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114362634
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CN(CC)CCO2)nc1C(C)(C)C
InChIInChI=1S/C16H29N3OS/c1-6-17-10-13-14(16(3,4)5)18-15(21-13)12-11-19(7-2)8-9-20-12/h12,17H,6-11H2,1-5H3
InChIKeyQFHQRUYKUOSKRL-UHFFFAOYSA-N
XLogP2.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-ethylmorpholin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365079
N-[[2-(4-ethylmorpholin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366231
N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364019
N-[[4-ethyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841266
N-[[4-ethyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841682
2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359699
N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362536
N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114362515
N-[[4-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362534
[4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361926
4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360273
ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 107376454

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114362634) is N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2CN(CC)CCO2)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is QFHQRUYKUOSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-6-17-10-13-14(16(3,4)5)18-15(21-13)12-11-19(7-2)8-9-20-12/h12,17H,6-11H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 311.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114362634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).