2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide

C18H17FN4O3S — CID 53136451

IUPAC2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2
InChIInChI=1S/C18H17FN4O3S/c1-10-2-3-11(19)6-13(10)21-15(24)8-22-18(26)17-14(7-20-22)27-9-16(25)23(17)12-4-5-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,21,24)
InChIKeyMHDYFXGJMXQVOP-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.93
Rot. Bonds4

About 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide

2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 53136451) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID53136451
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2
InChIInChI=1S/C18H17FN4O3S/c1-10-2-3-11(19)6-13(10)21-15(24)8-22-18(26)17-14(7-20-22)27-9-16(25)23(17)12-4-5-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,21,24)
InChIKeyMHDYFXGJMXQVOP-UHFFFAOYSA-N
XLogP1.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 53136451) is 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2.
What is the InChIKey of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is MHDYFXGJMXQVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-10-2-3-11(19)6-13(10)21-15(24)8-22-18(26)17-14(7-20-22)27-9-16(25)23(17)12-4-5-12/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,21,24).
What are the key properties of 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 388.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 53136451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).