N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

C14H19BrN2OS2 — CID 62544442

IUPACN-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCCc1nc(C(NCCOC)c2cc(Br)cs2)sc1C
InChIInChI=1S/C14H19BrN2OS2/c1-4-11-9(2)20-14(17-11)13(16-5-6-18-3)12-7-10(15)8-19-12/h7-8,13,16H,4-6H2,1-3H3
InChIKeyIGNLZIFJQULEFZ-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.16
Rot. Bonds7

About N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62544442) has the molecular formula C14H19BrN2OS2 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID62544442
Molecular FormulaC14H19BrN2OS2
Molecular Weight375.36 g/mol
Exact Mass374.01
IUPAC NameN-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCCc1nc(C(NCCOC)c2cc(Br)cs2)sc1C
InChIInChI=1S/C14H19BrN2OS2/c1-4-11-9(2)20-14(17-11)13(16-5-6-18-3)12-7-10(15)8-19-12/h7-8,13,16H,4-6H2,1-3H3
InChIKeyIGNLZIFJQULEFZ-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61345618
N-[(5-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61345428
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
CID 62544291
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
1-(4-bromothiophen-2-yl)-4-methoxy-N-propylbutan-1-amine
CID 115633537
N-[(4-bromothiophen-2-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64990264
N-[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 114652806
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 61332919
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 61332174
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N,2-dimethylpropan-1-amine
CID 116502415

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 62544442) is N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is CCc1nc(C(NCCOC)c2cc(Br)cs2)sc1C.
What is the InChIKey of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is IGNLZIFJQULEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS2/c1-4-11-9(2)20-14(17-11)13(16-5-6-18-3)12-7-10(15)8-19-12/h7-8,13,16H,4-6H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 375.36 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62544442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).