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

C10H11BrN2S2 — CID 102834932

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1sc(CNCc2nccs2)cc1Br
InChIInChI=1S/C10H11BrN2S2/c1-7-9(11)4-8(15-7)5-12-6-10-13-2-3-14-10/h2-4,12H,5-6H2,1H3
InChIKeyXJWDMUZCYIWNLJ-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.57
Rot. Bonds4

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

1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 102834932) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID102834932
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1sc(CNCc2nccs2)cc1Br
InChIInChI=1S/C10H11BrN2S2/c1-7-9(11)4-8(15-7)5-12-6-10-13-2-3-14-10/h2-4,12H,5-6H2,1H3
InChIKeyXJWDMUZCYIWNLJ-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 65243899
1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 102834782
N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 60961813
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine
CID 102831713
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527680
1-(2-bromo-5-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66159186
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[2-[(dimethylamino)methyl]phenyl]methanamine
CID 102830937
1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63378422
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
CID 102831548
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289474
1-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961012
4-bromo-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 103579715

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 102834932) is 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Cc1sc(CNCc2nccs2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is XJWDMUZCYIWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-7-9(11)4-8(15-7)5-12-6-10-13-2-3-14-10/h2-4,12H,5-6H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 303.25 g/mol, XLogP of 3.57, 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-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 102834932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).