8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine

C10H7BrN2OS — CID 23733727

IUPAC8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)COc1ccc(Br)cc1-2
InChIInChI=1S/C10H7BrN2OS/c11-5-1-2-7-6(3-5)9-8(4-14-7)15-10(12)13-9/h1-3H,4H2,(H2,12,13)
InChIKeyLJBCSBUVNRXUTD-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.05
Rot. Bonds

About 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine

8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine (PubChem CID 23733727) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine
PubChem CID23733727
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)COc1ccc(Br)cc1-2
InChIInChI=1S/C10H7BrN2OS/c11-5-1-2-7-6(3-5)9-8(4-14-7)15-10(12)13-9/h1-3H,4H2,(H2,12,13)
InChIKeyLJBCSBUVNRXUTD-UHFFFAOYSA-N
XLogP3.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine (CID 23733727) is 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine is Nc1nc2c(s1)COc1ccc(Br)cc1-2.
What is the InChIKey of 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
The InChIKey is LJBCSBUVNRXUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c11-5-1-2-7-6(3-5)9-8(4-14-7)15-10(12)13-9/h1-3H,4H2,(H2,12,13).
What are the key properties of 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine?
8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine has a molecular weight of 283.15 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 23733727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).