2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

C17H24N2S2 — CID 79782622

IUPAC2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(CSC(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H24N2S2/c1-17(2,3)20-12-15-19-16(13-8-6-5-7-9-13)14(21-15)10-11-18-4/h5-9,18H,10-12H2,1-4H3
InChIKeyDMIGEKFKPKISNO-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.60
Rot. Bonds6

About 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine

2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 79782622) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID79782622
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC Name2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNCCc1sc(CSC(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C17H24N2S2/c1-17(2,3)20-12-15-19-16(13-8-6-5-7-9-13)14(21-15)10-11-18-4/h5-9,18H,10-12H2,1-4H3
InChIKeyDMIGEKFKPKISNO-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 79782622) is 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is CNCCc1sc(CSC(C)(C)C)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is DMIGEKFKPKISNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-17(2,3)20-12-15-19-16(13-8-6-5-7-9-13)14(21-15)10-11-18-4/h5-9,18H,10-12H2,1-4H3.
What are the key properties of 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 320.53 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 79782622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).