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

C16H24N2OS2 — CID 62542625

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1ccc(C)s1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H24N2OS2/c1-11-6-7-12(21-11)14(17-8-9-19-5)15-18-13(10-20-15)16(2,3)4/h6-7,10,14,17H,8-9H2,1-5H3
InChIKeyLOSPIPMIKIRHLM-UHFFFAOYSA-N
MW324.52 g/mol
LogP4.14
Rot. Bonds6

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

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62542625) has the molecular formula C16H24N2OS2 and a molecular weight of 324.52 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine
PubChem CID62542625
Molecular FormulaC16H24N2OS2
Molecular Weight324.52 g/mol
Exact Mass324.13
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1ccc(C)s1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H24N2OS2/c1-11-6-7-12(21-11)14(17-8-9-19-5)15-18-13(10-20-15)16(2,3)4/h6-7,10,14,17H,8-9H2,1-5H3
InChIKeyLOSPIPMIKIRHLM-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine (CID 62542625) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1ccc(C)s1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is LOSPIPMIKIRHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c1-11-6-7-12(21-11)14(17-8-9-19-5)15-18-13(10-20-15)16(2,3)4/h6-7,10,14,17H,8-9H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 324.52 g/mol, XLogP of 4.14, 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-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62542625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).