ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate

C17H18ClN3O3S — CID 139666501

IUPACethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)C1=C(c2cc(Cl)cc3c2OCCN3C)N2CCN=C2S1
InChIInChI=1S/C17H18ClN3O3S/c1-3-23-16(22)15-13(21-5-4-19-17(21)25-15)11-8-10(18)9-12-14(11)24-7-6-20(12)2/h8-9H,3-7H2,1-2H3
InChIKeyPJBJZEADSKTHNY-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.82
Rot. Bonds3

About ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 139666501) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID139666501
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Nameethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)C1=C(c2cc(Cl)cc3c2OCCN3C)N2CCN=C2S1
InChIInChI=1S/C17H18ClN3O3S/c1-3-23-16(22)15-13(21-5-4-19-17(21)25-15)11-8-10(18)9-12-14(11)24-7-6-20(12)2/h8-9H,3-7H2,1-2H3
InChIKeyPJBJZEADSKTHNY-UHFFFAOYSA-N
XLogP2.82
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate with MolForge

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Related Compounds

6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-[3-(4-fluorophenoxy)propyl]-1,4-benzoxazin-3-one
CID 139666358
6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(4-phenylbutyl)-1,4-benzoxazin-3-one;hydrobromide
CID 139666219
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
6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one;hydrobromide
CID 139666236
2-[3-[6-Chloro-3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-8-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetic acid;hydrochloride
CID 139666239
6-Chloro-4-[3-(4-chlorophenoxy)propyl]-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,4-benzoxazin-3-one;hydrobromide
CID 139666247
6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one;hydrobromide
CID 139666253
6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(4-phenoxybutyl)-1,4-benzoxazin-3-one;hydrobromide
CID 139666260
6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-octyl-1,4-benzoxazin-3-one;hydrobromide
CID 139666264
6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(3-phenylpropyl)-1,4-benzoxazin-3-one;hydrobromide
CID 139666266
6-Chloro-8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 139666275
6-Chloro-4-methyl-8-(3-methyl-2-methylimino-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one;hydrobromide
CID 139666277

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 139666501) is ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)C1=C(c2cc(Cl)cc3c2OCCN3C)N2CCN=C2S1.
What is the InChIKey of ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is PJBJZEADSKTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-3-23-16(22)15-13(21-5-4-19-17(21)25-15)11-8-10(18)9-12-14(11)24-7-6-20(12)2/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 379.87 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 139666501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).