1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine

C10H18N2S — CID 4589780

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H18N2S/c1-7(11-5)9-12-8(6-13-9)10(2,3)4/h6-7,11H,1-5H3
InChIKeyPIAFADYVAOZLHS-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 4589780) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID4589780
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H18N2S/c1-7(11-5)9-12-8(6-13-9)10(2,3)4/h6-7,11H,1-5H3
InChIKeyPIAFADYVAOZLHS-UHFFFAOYSA-N
XLogP2.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine (CID 4589780) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine is CNC(C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is PIAFADYVAOZLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(11-5)9-12-8(6-13-9)10(2,3)4/h6-7,11H,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 198.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 4589780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).