2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

C16H18N6OS — CID 71799890

IUPAC2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCNc2ccc(-n3cccc3)nn2)s1
InChIInChI=1S/C16H18N6OS/c1-11-15(24-12(2)19-11)16(23)18-8-7-17-13-5-6-14(21-20-13)22-9-3-4-10-22/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,23)
InChIKeyHDSGYZYBTLDZMG-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.18
Rot. Bonds6

About 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 71799890) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID71799890
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCNc2ccc(-n3cccc3)nn2)s1
InChIInChI=1S/C16H18N6OS/c1-11-15(24-12(2)19-11)16(23)18-8-7-17-13-5-6-14(21-20-13)22-9-3-4-10-22/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,23)
InChIKeyHDSGYZYBTLDZMG-UHFFFAOYSA-N
XLogP2.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 71799890) is 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCNc2ccc(-n3cccc3)nn2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HDSGYZYBTLDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-15(24-12(2)19-11)16(23)18-8-7-17-13-5-6-14(21-20-13)22-9-3-4-10-22/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,23).
What are the key properties of 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71799890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).