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

C14H24N2OS — CID 114362536

IUPACN-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CCOC2)nc1C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-5-15-8-11-12(14(2,3)4)16-13(18-11)10-6-7-17-9-10/h10,15H,5-9H2,1-4H3
InChIKeyVWUXMYBIGSRAQG-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.05
Rot. Bonds4

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

N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114362536) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114362536
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CCOC2)nc1C(C)(C)C
InChIInChI=1S/C14H24N2OS/c1-5-15-8-11-12(14(2,3)4)16-13(18-11)10-6-7-17-9-10/h10,15H,5-9H2,1-4H3
InChIKeyVWUXMYBIGSRAQG-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362634
N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81177510
4-tert-butyl-N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63938359
N-[[4-cyclopropyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368047
N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364493
4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 107402320
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213
N-methyl-1-[2-(oxan-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363589
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114362536) is N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2CCOC2)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is VWUXMYBIGSRAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-15-8-11-12(14(2,3)4)16-13(18-11)10-6-7-17-9-10/h10,15H,5-9H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(oxolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114362536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).