N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C10H11BrN2S2 — CID 115381103

IUPACN-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2sccc2Br)n1
InChIInChI=1S/C10H11BrN2S2/c1-2-12-5-7-6-15-10(13-7)9-8(11)3-4-14-9/h3-4,6,12H,2,5H2,1H3
InChIKeyPWLXEVOPJIMPCE-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.74
Rot. Bonds4

About N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 115381103) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID115381103
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC NameN-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2sccc2Br)n1
InChIInChI=1S/C10H11BrN2S2/c1-2-12-5-7-6-15-10(13-7)9-8(11)3-4-14-9/h3-4,6,12H,2,5H2,1H3
InChIKeyPWLXEVOPJIMPCE-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropan-1-amine
CID 114275717
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 165457032
2-[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
CID 115381091
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 81143527
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 61281443
N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 104806392
N-[[2-(2-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 54979038
N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62346325
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 115381103) is N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(-c2sccc2Br)n1.
What is the InChIKey of N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is PWLXEVOPJIMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-2-12-5-7-6-15-10(13-7)9-8(11)3-4-14-9/h3-4,6,12H,2,5H2,1H3.
What are the key properties of N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 303.25 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 115381103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).