5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C18H17N3O4S — CID 82035773

IUPAC5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)n12
InChIInChI=1S/C18H17N3O4S/c1-3-4-12-16(17(23)24)26-18-20-15(9(2)21(12)18)10-5-6-13-11(7-10)19-14(22)8-25-13/h5-7H,3-4,8H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyWLVRRLGMJIXGLT-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.35
Rot. Bonds4

About 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035773) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035773
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)n12
InChIInChI=1S/C18H17N3O4S/c1-3-4-12-16(17(23)24)26-18-20-15(9(2)21(12)18)10-5-6-13-11(7-10)19-14(22)8-25-13/h5-7H,3-4,8H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyWLVRRLGMJIXGLT-UHFFFAOYSA-N
XLogP3.35
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494
N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995386
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633
4-butyl-N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 20995393
(2R)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431352
(2S)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431353
4-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 146021815
6-[3-(aminomethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
CID 39199500
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
N-[5-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 20995404
3-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995327
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51207749

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035773) is 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCCc1c(C(=O)O)sc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)n12.
What is the InChIKey of 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is WLVRRLGMJIXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-3-4-12-16(17(23)24)26-18-20-15(9(2)21(12)18)10-5-6-13-11(7-10)19-14(22)8-25-13/h5-7H,3-4,8H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).