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

C16H23N3OS — CID 82438601

IUPACN-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(-c2ccccn2)nc1C(C)(C)C
InChIInChI=1S/C16H23N3OS/c1-16(2,3)14-13(11-17-9-10-20-4)21-15(19-14)12-7-5-6-8-18-12/h5-8,17H,9-11H2,1-4H3
InChIKeyBQCWHIPYEXMHRF-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.24
Rot. Bonds6

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

N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 82438601) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID82438601
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(-c2ccccn2)nc1C(C)(C)C
InChIInChI=1S/C16H23N3OS/c1-16(2,3)14-13(11-17-9-10-20-4)21-15(19-14)12-7-5-6-8-18-12/h5-8,17H,9-11H2,1-4H3
InChIKeyBQCWHIPYEXMHRF-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82439257
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
N-[[4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366796
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
N-[[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362524
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
2-[(2-methoxyethylamino)methyl]pyridin-3-amine
CID 104740028
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428693
1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362289
2-methoxy-N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82427020
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (CID 82438601) is N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is COCCNCc1sc(-c2ccccn2)nc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is BQCWHIPYEXMHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-16(2,3)14-13(11-17-9-10-20-4)21-15(19-14)12-7-5-6-8-18-12/h5-8,17H,9-11H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 305.45 g/mol, XLogP of 3.24, 6 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-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82438601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).