1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

C15H19BrN2S2 — CID 66055519

IUPAC1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(CSc2ccc(Br)cc2)nc1C
InChIInChI=1S/C15H19BrN2S2/c1-4-17-10(2)15-11(3)18-14(20-15)9-19-13-7-5-12(16)6-8-13/h5-8,10,17H,4,9H2,1-3H3
InChIKeyNWCWNAAMOLARDX-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.18
Rot. Bonds6

About 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 66055519) has the molecular formula C15H19BrN2S2 and a molecular weight of 371.37 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID66055519
Molecular FormulaC15H19BrN2S2
Molecular Weight371.37 g/mol
Exact Mass370.02
IUPAC Name1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(CSc2ccc(Br)cc2)nc1C
InChIInChI=1S/C15H19BrN2S2/c1-4-17-10(2)15-11(3)18-14(20-15)9-19-13-7-5-12(16)6-8-13/h5-8,10,17H,4,9H2,1-3H3
InChIKeyNWCWNAAMOLARDX-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (CID 66055519) is 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1sc(CSc2ccc(Br)cc2)nc1C.
What is the InChIKey of 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is NWCWNAAMOLARDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S2/c1-4-17-10(2)15-11(3)18-14(20-15)9-19-13-7-5-12(16)6-8-13/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 371.37 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 66055519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).