tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate

C16H15ClN4O3S — CID 168887179

IUPACtert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C16H15ClN4O3S/c1-16(2,3)24-15(23)19-14-18-11-12(25-14)10(20-21-13(11)22)8-4-6-9(17)7-5-8/h4-7H,1-3H3,(H,21,22)(H,18,19,23)
InChIKeyXGNWCXWZUTWINF-UHFFFAOYSA-N
MW378.84 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate

tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate (PubChem CID 168887179) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate
PubChem CID168887179
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC Nametert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C16H15ClN4O3S/c1-16(2,3)24-15(23)19-14-18-11-12(25-14)10(20-21-13(11)22)8-4-6-9(17)7-5-8/h4-7H,1-3H3,(H,21,22)(H,18,19,23)
InChIKeyXGNWCXWZUTWINF-UHFFFAOYSA-N
XLogP4.05
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate with MolForge

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Related Compounds

7-(4-chlorophenyl)-2-methyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CID 42281610
2-(methylamino)-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CID 33676856
2-amino-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CID 42281614
1-(4-chlorophenyl)-3-[7-(4-methylphenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]thiourea
CID 155812328
1-(4-chlorophenyl)-3-(4-oxo-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl)thiourea
CID 155813746
2-Amino-7-(4-chlorophenyl)[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CID 42281615
tert-butyl N-[2-[[2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54433492
tert-butyl N-(4-carbamoyl-5-phenyl-1,3-thiazol-2-yl)carbamate
CID 134348785
tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate
CID 168886968
tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-N-(2-phenylethyl)carbamate
CID 168887075
N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide
CID 168887085
2-Amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 168887158

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate (CID 168887179) is tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate?
The InChIKey is XGNWCXWZUTWINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c1-16(2,3)24-15(23)19-14-18-11-12(25-14)10(20-21-13(11)22)8-4-6-9(17)7-5-8/h4-7H,1-3H3,(H,21,22)(H,18,19,23).
What are the key properties of tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate?
tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate has a molecular weight of 378.84 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-(4-chlorophenyl)-4-oxo-5H-[1,3]thiazolo[4,5-d]pyridazin-2-yl]carbamate is sourced from PubChem (CID 168887179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).