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

C16H17BrClN3O2S — CID 139666290

IUPAC6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide
SMILESBr.CN1C(=O)C(C)(C)Oc2c(C3=CSC4=NCCN34)cc(Cl)cc21
InChIInChI=1S/C16H16ClN3O2S.BrH/c1-16(2)14(21)19(3)11-7-9(17)6-10(13(11)22-16)12-8-23-15-18-4-5-20(12)15;/h6-8H,4-5H2,1-3H3;1H
InChIKeyAOLWWMAISIBKGO-UHFFFAOYSA-N
MW430.76 g/mol
LogP3.77
Rot. Bonds1

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

6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide (PubChem CID 139666290) has the molecular formula C16H17BrClN3O2S and a molecular weight of 430.76 g/mol. Its IUPAC name is 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide.

Molecular Properties

Compound Name6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide
PubChem CID139666290
Molecular FormulaC16H17BrClN3O2S
Molecular Weight430.76 g/mol
Exact Mass428.99
IUPAC Name6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide
SMILESBr.CN1C(=O)C(C)(C)Oc2c(C3=CSC4=NCCN34)cc(Cl)cc21
InChIInChI=1S/C16H16ClN3O2S.BrH/c1-16(2)14(21)19(3)11-7-9(17)6-10(13(11)22-16)12-8-23-15-18-4-5-20(12)15;/h6-8H,4-5H2,1-3H3;1H
InChIKeyAOLWWMAISIBKGO-UHFFFAOYSA-N
XLogP3.77
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.76
LogP ≤ 53.77
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)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide?
The IUPAC name of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide (CID 139666290) is 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-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)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide?
The canonical SMILES for 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide is Br.CN1C(=O)C(C)(C)Oc2c(C3=CSC4=NCCN34)cc(Cl)cc21.
What is the InChIKey of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide?
The InChIKey is AOLWWMAISIBKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S.BrH/c1-16(2)14(21)19(3)11-7-9(17)6-10(13(11)22-16)12-8-23-15-18-4-5-20(12)15;/h6-8H,4-5H2,1-3H3;1H.
What are the key properties of 6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide?
6-chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide has a molecular weight of 430.76 g/mol, XLogP of 3.77, 1 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)-2,2,4-trimethyl-1,4-benzoxazin-3-one;hydrobromide is sourced from PubChem (CID 139666290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).