N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide

C18H18ClFN4O3S — CID 53136532

IUPACN-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
SMILESCC(C)CN1C(=O)CSc2cnn(CC(=O)Nc3cc(F)ccc3Cl)c(=O)c21
InChIInChI=1S/C18H18ClFN4O3S/c1-10(2)7-23-16(26)9-28-14-6-21-24(18(27)17(14)23)8-15(25)22-13-5-11(20)3-4-12(13)19/h3-6,10H,7-9H2,1-2H3,(H,22,25)
InChIKeyUFBPNUNPPRTLRO-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.77
Rot. Bonds5

About N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide

N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide (PubChem CID 53136532) has the molecular formula C18H18ClFN4O3S and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
PubChem CID53136532
Molecular FormulaC18H18ClFN4O3S
Molecular Weight424.89 g/mol
Exact Mass424.08
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
SMILESCC(C)CN1C(=O)CSc2cnn(CC(=O)Nc3cc(F)ccc3Cl)c(=O)c21
InChIInChI=1S/C18H18ClFN4O3S/c1-10(2)7-23-16(26)9-28-14-6-21-24(18(27)17(14)23)8-15(25)22-13-5-11(20)3-4-12(13)19/h3-6,10H,7-9H2,1-2H3,(H,22,25)
InChIKeyUFBPNUNPPRTLRO-UHFFFAOYSA-N
XLogP2.77
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide (CID 53136532) is N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide is CC(C)CN1C(=O)CSc2cnn(CC(=O)Nc3cc(F)ccc3Cl)c(=O)c21.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
The InChIKey is UFBPNUNPPRTLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O3S/c1-10(2)7-23-16(26)9-28-14-6-21-24(18(27)17(14)23)8-15(25)22-13-5-11(20)3-4-12(13)19/h3-6,10H,7-9H2,1-2H3,(H,22,25).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide is sourced from PubChem (CID 53136532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).