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

C18H17ClN4O3S — CID 53136446

IUPACN-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2
InChIInChI=1S/C18H17ClN4O3S/c1-10-3-2-4-12(19)16(10)21-14(24)8-22-18(26)17-13(7-20-22)27-9-15(25)23(17)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,21,24)
InChIKeyMTGXLFOTPDDKBX-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.44
Rot. Bonds4

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

N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (PubChem CID 53136446) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
PubChem CID53136446
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2
InChIInChI=1S/C18H17ClN4O3S/c1-10-3-2-4-12(19)16(10)21-14(24)8-22-18(26)17-13(7-20-22)27-9-15(25)23(17)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,21,24)
InChIKeyMTGXLFOTPDDKBX-UHFFFAOYSA-N
XLogP2.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (CID 53136446) is N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is Cc1cccc(Cl)c1NC(=O)Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The InChIKey is MTGXLFOTPDDKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-10-3-2-4-12(19)16(10)21-14(24)8-22-18(26)17-13(7-20-22)27-9-15(25)23(17)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,21,24).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide has a molecular weight of 404.88 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is sourced from PubChem (CID 53136446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).