N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

C11H14BrN3OS2 — CID 133358291

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2ccc(Br)s2)n1
InChIInChI=1S/C11H14BrN3OS2/c1-15(7-8-3-4-9(12)17-8)11-13-10(14-18-11)5-6-16-2/h3-4H,5-7H2,1-2H3
InChIKeyJWDJEYTXNNQOTO-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.19
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133358291) has the molecular formula C11H14BrN3OS2 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133358291
Molecular FormulaC11H14BrN3OS2
Molecular Weight348.29 g/mol
Exact Mass346.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2ccc(Br)s2)n1
InChIInChI=1S/C11H14BrN3OS2/c1-15(7-8-3-4-9(12)17-8)11-13-10(14-18-11)5-6-16-2/h3-4H,5-7H2,1-2H3
InChIKeyJWDJEYTXNNQOTO-UHFFFAOYSA-N
XLogP3.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 75399638
N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133352392
N-[(4-chloro-3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133431092
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 171328514
N-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
CID 78986456
N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133352043
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133335243
N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276186
2-N-[(5-bromothiophen-2-yl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382673
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133358188
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 133358291) is N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is COCCc1nsc(N(C)Cc2ccc(Br)s2)n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is JWDJEYTXNNQOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS2/c1-15(7-8-3-4-9(12)17-8)11-13-10(14-18-11)5-6-16-2/h3-4H,5-7H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 348.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).