1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C11H13BrN2S2 — CID 102834782

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2cc(Br)c(C)s2)n1
InChIInChI=1S/C11H13BrN2S2/c1-7-6-15-11(14-7)5-13-4-9-3-10(12)8(2)16-9/h3,6,13H,4-5H2,1-2H3
InChIKeyPFVNEFRFGFAPBV-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 102834782) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID102834782
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCc2cc(Br)c(C)s2)n1
InChIInChI=1S/C11H13BrN2S2/c1-7-6-15-11(14-7)5-13-4-9-3-10(12)8(2)16-9/h3,6,13H,4-5H2,1-2H3
InChIKeyPFVNEFRFGFAPBV-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 102834932
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61043119
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
1-(4-bromo-5-methylthiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 102837233
3-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688112
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
1-(4,5-dimethylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 65243899
1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62473870

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 102834782) is 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCc2cc(Br)c(C)s2)n1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is PFVNEFRFGFAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-7-6-15-11(14-7)5-13-4-9-3-10(12)8(2)16-9/h3,6,13H,4-5H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 317.28 g/mol, XLogP of 3.87, 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-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 102834782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).