methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

C18H21N5O3S — CID 126854021

IUPACmethyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C2CCN(c3cc4c(nn3)CCC4)CC2)n1
InChIInChI=1S/C18H21N5O3S/c1-26-17(25)14-10-27-18(19-14)20-16(24)11-5-7-23(8-6-11)15-9-12-3-2-4-13(12)21-22-15/h9-11H,2-8H2,1H3,(H,19,20,24)
InChIKeyMEBJPJNDCPBPBU-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 126854021) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID126854021
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Namemethyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C2CCN(c3cc4c(nn3)CCC4)CC2)n1
InChIInChI=1S/C18H21N5O3S/c1-26-17(25)14-10-27-18(19-14)20-16(24)11-5-7-23(8-6-11)15-9-12-3-2-4-13(12)21-22-15/h9-11H,2-8H2,1H3,(H,19,20,24)
InChIKeyMEBJPJNDCPBPBU-UHFFFAOYSA-N
XLogP2.06
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate 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 methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 126854021) is methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)C2CCN(c3cc4c(nn3)CCC4)CC2)n1.
What is the InChIKey of methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is MEBJPJNDCPBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-26-17(25)14-10-27-18(19-14)20-16(24)11-5-7-23(8-6-11)15-9-12-3-2-4-13(12)21-22-15/h9-11H,2-8H2,1H3,(H,19,20,24).
What are the key properties of methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 387.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126854021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).