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

C15H22N2OS2 — CID 82439257

IUPACN-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(-c2cccs2)nc1C(C)(C)C
InChIInChI=1S/C15H22N2OS2/c1-15(2,3)13-12(10-16-7-8-18-4)20-14(17-13)11-6-5-9-19-11/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyXRHSDABTAOEHRD-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.91
Rot. Bonds6

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

N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 82439257) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID82439257
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC NameN-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(-c2cccs2)nc1C(C)(C)C
InChIInChI=1S/C15H22N2OS2/c1-15(2,3)13-12(10-16-7-8-18-4)20-14(17-13)11-6-5-9-19-11/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyXRHSDABTAOEHRD-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.91
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-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine with MolForge

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Related Compounds

2-methoxy-N-[(4-propan-2-yl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82435064
N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82439255
N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82438601
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
N-[[2-(5-bromothiophen-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362567
N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82438412
N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82441318
N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63049730
2-methoxy-N-[[5-(2-thiophen-2-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80620130
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428693

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (CID 82439257) is N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is COCCNCc1sc(-c2cccs2)nc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is XRHSDABTAOEHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-15(2,3)13-12(10-16-7-8-18-4)20-14(17-13)11-6-5-9-19-11/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
N-[(4-tert-butyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 310.49 g/mol, XLogP of 3.91, 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-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82439257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).