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

C16H29N3OS — CID 43764241

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCN1CCOCC1
InChIInChI=1S/C16H29N3OS/c1-12(17-6-7-19-8-10-20-11-9-19)14-13(2)18-15(21-14)16(3,4)5/h12,17H,6-11H2,1-5H3
InChIKeyHLHQXCXRESOTQL-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.73
Rot. Bonds5

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

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine (PubChem CID 43764241) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine
PubChem CID43764241
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCN1CCOCC1
InChIInChI=1S/C16H29N3OS/c1-12(17-6-7-19-8-10-20-11-9-19)14-13(2)18-15(21-14)16(3,4)5/h12,17H,6-11H2,1-5H3
InChIKeyHLHQXCXRESOTQL-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61475019
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433
1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917
3-methyl-2-(2-morpholin-4-ylethylamino)butan-1-ol
CID 79250355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]morpholin-4-amine
CID 83010416
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N-cyclopropylacetamide
CID 43778001
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776724
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43768791
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
CID 43769276
5-(2-aminoethyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 94696966
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine (CID 43764241) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine is Cc1nc(C(C)(C)C)sc1C(C)NCCN1CCOCC1.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
The InChIKey is HLHQXCXRESOTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12(17-6-7-19-8-10-20-11-9-19)14-13(2)18-15(21-14)16(3,4)5/h12,17H,6-11H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine has a molecular weight of 311.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-morpholin-4-ylethyl)ethanamine is sourced from PubChem (CID 43764241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).