tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate

C17H27N5O3S — CID 139897525

IUPACtert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate
SMILESCN1Cc2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)sc2CN1C
InChIInChI=1S/C17H27N5O3S/c1-17(2,3)25-16(24)22-8-6-21(7-9-22)15(23)14-18-12-10-19(4)20(5)11-13(12)26-14/h6-11H2,1-5H3
InChIKeyHSDOWHQENXYWIA-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 139897525) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate
PubChem CID139897525
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Nametert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate
SMILESCN1Cc2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)sc2CN1C
InChIInChI=1S/C17H27N5O3S/c1-17(2,3)25-16(24)22-8-6-21(7-9-22)15(23)14-18-12-10-19(4)20(5)11-13(12)26-14/h6-11H2,1-5H3
InChIKeyHSDOWHQENXYWIA-UHFFFAOYSA-N
XLogP1.63
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate with MolForge

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Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxylic acid
CID 53302298
5-O-tert-butyl 2-O-methyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
CID 68644038
5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
CID 45489909
tert-butyl 2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxylate
CID 84712457
tert-butyl 4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate
CID 46532994
tert-butyl 2-(propan-2-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62956988
tert-butyl N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 172654604
tert-butyl 2-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
CID 138670636
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate (CID 139897525) is tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate is CN1Cc2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)sc2CN1C.
What is the InChIKey of tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is HSDOWHQENXYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-17(2,3)25-16(24)22-8-6-21(7-9-22)15(23)14-18-12-10-19(4)20(5)11-13(12)26-14/h6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 381.50 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 139897525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).