5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C12H14BrN3S2 — CID 120905085

IUPAC5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2c2ccc(Br)s2)s1
InChIInChI=1S/C12H14BrN3S2/c13-11-4-3-10(18-11)9-2-1-5-16(9)7-8-6-15-12(14)17-8/h3-4,6,9H,1-2,5,7H2,(H2,14,15)
InChIKeyHZGXHLXXCAORIH-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.89
Rot. Bonds3

About 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120905085) has the molecular formula C12H14BrN3S2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120905085
Molecular FormulaC12H14BrN3S2
Molecular Weight344.30 g/mol
Exact Mass342.98
IUPAC Name5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2c2ccc(Br)s2)s1
InChIInChI=1S/C12H14BrN3S2/c13-11-4-3-10(18-11)9-2-1-5-16(9)7-8-6-15-12(14)17-8/h3-4,6,9H,1-2,5,7H2,(H2,14,15)
InChIKeyHZGXHLXXCAORIH-UHFFFAOYSA-N
XLogP3.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898876
2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine
CID 83665520
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
5-[[2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905712
5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897264
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
1-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120855842
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901300
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120905085) is 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCCC2c2ccc(Br)s2)s1.
What is the InChIKey of 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is HZGXHLXXCAORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S2/c13-11-4-3-10(18-11)9-2-1-5-16(9)7-8-6-15-12(14)17-8/h3-4,6,9H,1-2,5,7H2,(H2,14,15).
What are the key properties of 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 344.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).