6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide

C17H19BrClN3O2S — CID 139666225

IUPAC6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide
SMILESBr.CCCC1Oc2c(C3=CSC4=NCCN34)cc(Cl)cc2N(C)C1=O
InChIInChI=1S/C17H18ClN3O2S.BrH/c1-3-4-14-16(22)20(2)12-8-10(18)7-11(15(12)23-14)13-9-24-17-19-5-6-21(13)17;/h7-9,14H,3-6H2,1-2H3;1H
InChIKeySLWQSFBSUDRUBQ-UHFFFAOYSA-N
MW444.78 g/mol
LogP4.16
Rot. Bonds3

About 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide

6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide (PubChem CID 139666225) has the molecular formula C17H19BrClN3O2S and a molecular weight of 444.78 g/mol. Its IUPAC name is 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide.

Molecular Properties

Compound Name6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide
PubChem CID139666225
Molecular FormulaC17H19BrClN3O2S
Molecular Weight444.78 g/mol
Exact Mass443.01
IUPAC Name6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide
SMILESBr.CCCC1Oc2c(C3=CSC4=NCCN34)cc(Cl)cc2N(C)C1=O
InChIInChI=1S/C17H18ClN3O2S.BrH/c1-3-4-14-16(22)20(2)12-8-10(18)7-11(15(12)23-14)13-9-24-17-19-5-6-21(13)17;/h7-9,14H,3-6H2,1-2H3;1H
InChIKeySLWQSFBSUDRUBQ-UHFFFAOYSA-N
XLogP4.16
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide?
The IUPAC name of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide (CID 139666225) is 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide.
What is the SMILES notation for 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide?
The canonical SMILES for 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide is Br.CCCC1Oc2c(C3=CSC4=NCCN34)cc(Cl)cc2N(C)C1=O.
What is the InChIKey of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide?
The InChIKey is SLWQSFBSUDRUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S.BrH/c1-3-4-14-16(22)20(2)12-8-10(18)7-11(15(12)23-14)13-9-24-17-19-5-6-21(13)17;/h7-9,14H,3-6H2,1-2H3;1H.
What are the key properties of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide?
6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide has a molecular weight of 444.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-methyl-2-propyl-1,4-benzoxazin-3-one;hydrobromide is sourced from PubChem (CID 139666225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).