N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C13H16N4OS — CID 56792441

IUPACN-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(C(C)(C)C)nn1
InChIInChI=1S/C13H16N4OS/c1-8-11(19-7-14-8)12(18)15-10-6-5-9(16-17-10)13(2,3)4/h5-7H,1-4H3,(H,15,17,18)
InChIKeySGWLOCKSFROYIE-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.79
Rot. Bonds2

About N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56792441) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56792441
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(C(C)(C)C)nn1
InChIInChI=1S/C13H16N4OS/c1-8-11(19-7-14-8)12(18)15-10-6-5-9(16-17-10)13(2,3)4/h5-7H,1-4H3,(H,15,17,18)
InChIKeySGWLOCKSFROYIE-UHFFFAOYSA-N
XLogP2.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 56792441) is N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(C(C)(C)C)nn1.
What is the InChIKey of N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SGWLOCKSFROYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-11(19-7-14-8)12(18)15-10-6-5-9(16-17-10)13(2,3)4/h5-7H,1-4H3,(H,15,17,18).
What are the key properties of N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56792441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).