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

C13H18BrN3S2 — CID 79393143

IUPAC5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)Cc2cc(Br)cs2)sc1CN
InChIInChI=1S/C13H18BrN3S2/c1-8(2)12-11(5-15)19-13(16-12)17(3)6-10-4-9(14)7-18-10/h4,7-8H,5-6,15H2,1-3H3
InChIKeyJMQCOJQEESSOPF-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.19
Rot. Bonds5

About 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine

5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79393143) has the molecular formula C13H18BrN3S2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79393143
Molecular FormulaC13H18BrN3S2
Molecular Weight360.35 g/mol
Exact Mass359.01
IUPAC Name5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)Cc2cc(Br)cs2)sc1CN
InChIInChI=1S/C13H18BrN3S2/c1-8(2)12-11(5-15)19-13(16-12)17(3)6-10-4-9(14)7-18-10/h4,7-8H,5-6,15H2,1-3H3
InChIKeyJMQCOJQEESSOPF-UHFFFAOYSA-N
XLogP4.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62766846
5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393591
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 64543755
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767191
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62767879
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393376
5-(aminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79393291
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393645
2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80688292
5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396354
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
CID 107373412

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (CID 79393143) is 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N(C)Cc2cc(Br)cs2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is JMQCOJQEESSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3S2/c1-8(2)12-11(5-15)19-13(16-12)17(3)6-10-4-9(14)7-18-10/h4,7-8H,5-6,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 360.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79393143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).