1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C15H19BrClN3S — CID 120908908

IUPAC1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2csc(-c3cccc(Br)c3)n2)CC1N.Cl
InChIInChI=1S/C15H18BrN3S.ClH/c1-10-6-19(8-14(10)17)7-13-9-20-15(18-13)11-3-2-4-12(16)5-11;/h2-5,9-10,14H,6-8,17H2,1H3;1H
InChIKeyLMGBGGDEKJPFPP-UHFFFAOYSA-N
MW388.76 g/mol
LogP3.77
Rot. Bonds3

About 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120908908) has the molecular formula C15H19BrClN3S and a molecular weight of 388.76 g/mol. Its IUPAC name is 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120908908
Molecular FormulaC15H19BrClN3S
Molecular Weight388.76 g/mol
Exact Mass387.02
IUPAC Name1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2csc(-c3cccc(Br)c3)n2)CC1N.Cl
InChIInChI=1S/C15H18BrN3S.ClH/c1-10-6-19(8-14(10)17)7-13-9-20-15(18-13)11-3-2-4-12(16)5-11;/h2-5,9-10,14H,6-8,17H2,1H3;1H
InChIKeyLMGBGGDEKJPFPP-UHFFFAOYSA-N
XLogP3.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782314
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
(3S)-1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 97185843
(3S,4R)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120760388
(3S,4R)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120760389
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120908908) is 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2csc(-c3cccc(Br)c3)n2)CC1N.Cl.
What is the InChIKey of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is LMGBGGDEKJPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S.ClH/c1-10-6-19(8-14(10)17)7-13-9-20-15(18-13)11-3-2-4-12(16)5-11;/h2-5,9-10,14H,6-8,17H2,1H3;1H.
What are the key properties of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 388.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120908908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).