N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine

C8H11BrN2S — CID 130660961

IUPACN-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1ncc(Br)s1)C1CC1
InChIInChI=1S/C8H11BrN2S/c1-11(6-2-3-6)5-8-10-4-7(9)12-8/h4,6H,2-3,5H2,1H3
InChIKeyVDYDTNDCZWUQLU-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.50
Rot. Bonds3

About N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine

N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine (PubChem CID 130660961) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine
PubChem CID130660961
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC NameN-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1ncc(Br)s1)C1CC1
InChIInChI=1S/C8H11BrN2S/c1-11(6-2-3-6)5-8-10-4-7(9)12-8/h4,6H,2-3,5H2,1H3
InChIKeyVDYDTNDCZWUQLU-UHFFFAOYSA-N
XLogP2.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 102841835
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine
CID 131041756
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
4-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121491
5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 79035369
N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine
CID 131201785
5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137347275
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79120933
1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 113457163
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine (CID 130660961) is N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine is CN(Cc1ncc(Br)s1)C1CC1.
What is the InChIKey of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine?
The InChIKey is VDYDTNDCZWUQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c1-11(6-2-3-6)5-8-10-4-7(9)12-8/h4,6H,2-3,5H2,1H3.
What are the key properties of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine?
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine has a molecular weight of 247.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 130660961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).