1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C9H8BrClN2S2 — CID 102835784

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESClc1sc(CNCc2cscn2)cc1Br
InChIInChI=1S/C9H8BrClN2S2/c10-8-1-7(15-9(8)11)3-12-2-6-4-14-5-13-6/h1,4-5,12H,2-3H2
InChIKeyCECYCPQQGTXIAF-UHFFFAOYSA-N
MW323.67 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 102835784) has the molecular formula C9H8BrClN2S2 and a molecular weight of 323.67 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID102835784
Molecular FormulaC9H8BrClN2S2
Molecular Weight323.67 g/mol
Exact Mass321.90
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESClc1sc(CNCc2cscn2)cc1Br
InChIInChI=1S/C9H8BrClN2S2/c10-8-1-7(15-9(8)11)3-12-2-6-4-14-5-13-6/h1,4-5,12H,2-3H2
InChIKeyCECYCPQQGTXIAF-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.67
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 102835784) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is Clc1sc(CNCc2cscn2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is CECYCPQQGTXIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2S2/c10-8-1-7(15-9(8)11)3-12-2-6-4-14-5-13-6/h1,4-5,12H,2-3H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 323.67 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 102835784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).