1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H13BrN2S2 — CID 81173545

IUPAC1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Br)s2)nc1-c1ccccc1
InChIInChI=1S/C15H13BrN2S2/c1-17-9-12-14(10-5-3-2-4-6-10)18-15(20-12)11-7-8-13(16)19-11/h2-8,17H,9H2,1H3
InChIKeyCSYXNOSKDKKNBH-UHFFFAOYSA-N
MW365.32 g/mol
LogP5.02
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 81173545) has the molecular formula C15H13BrN2S2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID81173545
Molecular FormulaC15H13BrN2S2
Molecular Weight365.32 g/mol
Exact Mass363.97
IUPAC Name1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Br)s2)nc1-c1ccccc1
InChIInChI=1S/C15H13BrN2S2/c1-17-9-12-14(10-5-3-2-4-6-10)18-15(20-12)11-7-8-13(16)19-11/h2-8,17H,9H2,1H3
InChIKeyCSYXNOSKDKKNBH-UHFFFAOYSA-N
XLogP5.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 81173545) is 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(Br)s2)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CSYXNOSKDKKNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S2/c1-17-9-12-14(10-5-3-2-4-6-10)18-15(20-12)11-7-8-13(16)19-11/h2-8,17H,9H2,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 365.32 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 81173545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).