2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine

C15H21N3OS — CID 105065878

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCOc1cnccc1C(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H21N3OS/c1-15(2,3)13-9-20-14(18-13)7-11(16)10-5-6-17-8-12(10)19-4/h5-6,8-9,11H,7,16H2,1-4H3
InChIKeyANOHLNXZGGWSQK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine (PubChem CID 105065878) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine
PubChem CID105065878
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCOc1cnccc1C(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H21N3OS/c1-15(2,3)13-9-20-14(18-13)7-11(16)10-5-6-17-8-12(10)19-4/h5-6,8-9,11H,7,16H2,1-4H3
InChIKeyANOHLNXZGGWSQK-UHFFFAOYSA-N
XLogP3.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066380
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105169573
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 105016098
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 106858230
1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 107538587
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105016076
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine
CID 105065820

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine (CID 105065878) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine is COc1cnccc1C(N)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine?
The InChIKey is ANOHLNXZGGWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,3)13-9-20-14(18-13)7-11(16)10-5-6-17-8-12(10)19-4/h5-6,8-9,11H,7,16H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine is sourced from PubChem (CID 105065878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).