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

C11H14BrN3S2 — CID 64543755

IUPAC4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCC(N)c1csc(N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C11H14BrN3S2/c1-7(13)10-6-17-11(14-10)15(2)4-9-3-8(12)5-16-9/h3,5-7H,4,13H2,1-2H3
InChIKeyGJLDYOUYKPMMSR-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.62
Rot. Bonds4

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

4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 64543755) has the molecular formula C11H14BrN3S2 and a molecular weight of 332.29 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID64543755
Molecular FormulaC11H14BrN3S2
Molecular Weight332.29 g/mol
Exact Mass330.98
IUPAC Name4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCC(N)c1csc(N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C11H14BrN3S2/c1-7(13)10-6-17-11(14-10)15(2)4-9-3-8(12)5-16-9/h3,5-7H,4,13H2,1-2H3
InChIKeyGJLDYOUYKPMMSR-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64545565
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393143
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 64543577
3-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 114055996
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methylaniline
CID 54984893
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62766846
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890501
1-[2-[ethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544599
4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 64542947
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544768

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 64543755) is 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine is CC(N)c1csc(N(C)Cc2cc(Br)cs2)n1.
What is the InChIKey of 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GJLDYOUYKPMMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S2/c1-7(13)10-6-17-11(14-10)15(2)4-9-3-8(12)5-16-9/h3,5-7H,4,13H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 332.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64543755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).