4-bromo-2-prop-1-en-2-yl-1,3-thiazole

C6H6BrNS — CID 11229471

IUPAC4-bromo-2-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1nc(Br)cs1
InChIInChI=1S/C6H6BrNS/c1-4(2)6-8-5(7)3-9-6/h3H,1H2,2H3
InChIKeyXTCMIIQJNNZXLK-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.94
Rot. Bonds1

About 4-bromo-2-prop-1-en-2-yl-1,3-thiazole

4-bromo-2-prop-1-en-2-yl-1,3-thiazole (PubChem CID 11229471) has the molecular formula C6H6BrNS and a molecular weight of 204.09 g/mol. Its IUPAC name is 4-bromo-2-prop-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-prop-1-en-2-yl-1,3-thiazole
PubChem CID11229471
Molecular FormulaC6H6BrNS
Molecular Weight204.09 g/mol
Exact Mass202.94
IUPAC Name4-bromo-2-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1nc(Br)cs1
InChIInChI=1S/C6H6BrNS/c1-4(2)6-8-5(7)3-9-6/h3H,1H2,2H3
InChIKeyXTCMIIQJNNZXLK-UHFFFAOYSA-N
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-prop-1-en-2-yl-1,3-thiazole?
The IUPAC name of 4-bromo-2-prop-1-en-2-yl-1,3-thiazole (CID 11229471) is 4-bromo-2-prop-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-prop-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-prop-1-en-2-yl-1,3-thiazole is C=C(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-prop-1-en-2-yl-1,3-thiazole?
The InChIKey is XTCMIIQJNNZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNS/c1-4(2)6-8-5(7)3-9-6/h3H,1H2,2H3.
What are the key properties of 4-bromo-2-prop-1-en-2-yl-1,3-thiazole?
4-bromo-2-prop-1-en-2-yl-1,3-thiazole has a molecular weight of 204.09 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-prop-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 11229471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).