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

C9H13BrN2S — CID 131041756

IUPACN-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine
SMILESCC1CCC1NCc1ncc(Br)s1
InChIInChI=1S/C9H13BrN2S/c1-6-2-3-7(6)11-5-9-12-4-8(10)13-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyUFYVXTUHHKAALX-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.79
Rot. Bonds3

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

N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine (PubChem CID 131041756) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine
PubChem CID131041756
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC NameN-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine
SMILESCC1CCC1NCc1ncc(Br)s1
InChIInChI=1S/C9H13BrN2S/c1-6-2-3-7(6)11-5-9-12-4-8(10)13-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyUFYVXTUHHKAALX-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 126987035
(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 130646271
N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907544
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine
CID 130171661
2-[[3-[(5-bromo-1,3-thiazol-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042657
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 130552141
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine
CID 130660961
1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786303
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 104878566

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine?
The IUPAC name of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine (CID 131041756) is N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine?
The canonical SMILES for N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine is CC1CCC1NCc1ncc(Br)s1.
What is the InChIKey of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine?
The InChIKey is UFYVXTUHHKAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-6-2-3-7(6)11-5-9-12-4-8(10)13-9/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine?
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine has a molecular weight of 261.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 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]-2-methylcyclobutan-1-amine is sourced from PubChem (CID 131041756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).