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

C14H26N2OS — CID 82711538

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NOCC(C)C
InChIInChI=1S/C14H26N2OS/c1-9(2)8-17-16-11(4)12-10(3)15-13(18-12)14(5,6)7/h9,11,16H,8H2,1-7H3
InChIKeyWPJMQHUWJDKYIM-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.99
Rot. Bonds5

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

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine (PubChem CID 82711538) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine
PubChem CID82711538
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NOCC(C)C
InChIInChI=1S/C14H26N2OS/c1-9(2)8-17-16-11(4)12-10(3)15-13(18-12)14(5,6)7/h9,11,16H,8H2,1-7H3
InChIKeyWPJMQHUWJDKYIM-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377698
1-[4-Methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377699
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 47317384
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43755116
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491347

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine (CID 82711538) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine is Cc1nc(C(C)(C)C)sc1C(C)NOCC(C)C.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine?
The InChIKey is WPJMQHUWJDKYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-9(2)8-17-16-11(4)12-10(3)15-13(18-12)14(5,6)7/h9,11,16H,8H2,1-7H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine has a molecular weight of 270.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 82711538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).