1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine

C7H7BrN4S — CID 82380283

IUPAC1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine
SMILESCC(N)c1snc2c(Br)ncnc12
InChIInChI=1S/C7H7BrN4S/c1-3(9)6-4-5(12-13-6)7(8)11-2-10-4/h2-3H,9H2,1H3
InChIKeyUPKBNARBFVWRMQ-UHFFFAOYSA-N
MW259.13 g/mol
LogP1.87
Rot. Bonds1

About 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine

1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine (PubChem CID 82380283) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine
PubChem CID82380283
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine
SMILESCC(N)c1snc2c(Br)ncnc12
InChIInChI=1S/C7H7BrN4S/c1-3(9)6-4-5(12-13-6)7(8)11-2-10-4/h2-3H,9H2,1H3
InChIKeyUPKBNARBFVWRMQ-UHFFFAOYSA-N
XLogP1.87
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
CID 130090847
(1S)-1-(1,2,4-thiadiazol-5-yl)ethanamine
CID 82418721
3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine
CID 170900189
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine
CID 83680827
1-(4,5-dimethyl-1,2-thiazol-3-yl)ethanamine
CID 82416064
1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine
CID 82438233
5,6-dibromopyrimidin-4-amine
CID 130067671
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
CID 133059607

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine?
The IUPAC name of 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine (CID 82380283) is 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine.
What is the SMILES notation for 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine?
The canonical SMILES for 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine is CC(N)c1snc2c(Br)ncnc12.
What is the InChIKey of 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine?
The InChIKey is UPKBNARBFVWRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S/c1-3(9)6-4-5(12-13-6)7(8)11-2-10-4/h2-3H,9H2,1H3.
What are the key properties of 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine?
1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine has a molecular weight of 259.13 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine is sourced from PubChem (CID 82380283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).