2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

C16H15N5OS — CID 155941439

IUPAC2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C16H15N5OS/c22-15(19-16-18-13(8-23-16)10-3-4-10)11-5-6-14-17-12(9-1-2-9)7-21(14)20-11/h5-10H,1-4H2,(H,18,19,22)
InChIKeyNKGDODWQQBIHDE-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.19
Rot. Bonds4

About 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 155941439) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID155941439
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccc2nc(C3CC3)cn2n1
InChIInChI=1S/C16H15N5OS/c22-15(19-16-18-13(8-23-16)10-3-4-10)11-5-6-14-17-12(9-1-2-9)7-21(14)20-11/h5-10H,1-4H2,(H,18,19,22)
InChIKeyNKGDODWQQBIHDE-UHFFFAOYSA-N
XLogP3.19
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (CID 155941439) is 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1ccc2nc(C3CC3)cn2n1.
What is the InChIKey of 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is NKGDODWQQBIHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(19-16-18-13(8-23-16)10-3-4-10)11-5-6-14-17-12(9-1-2-9)7-21(14)20-11/h5-10H,1-4H2,(H,18,19,22).
What are the key properties of 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 155941439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).