2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one

C13H16N4OS — CID 75427160

IUPAC2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2csc(N(C)C3CC3)n2)n1
InChIInChI=1S/C13H16N4OS/c1-9-3-6-12(18)17(15-9)7-10-8-19-13(14-10)16(2)11-4-5-11/h3,6,8,11H,4-5,7H2,1-2H3
InChIKeyBWVMUHKLTZRJOF-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.66
Rot. Bonds4

About 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one

2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 75427160) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID75427160
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2csc(N(C)C3CC3)n2)n1
InChIInChI=1S/C13H16N4OS/c1-9-3-6-12(18)17(15-9)7-10-8-19-13(14-10)16(2)11-4-5-11/h3,6,8,11H,4-5,7H2,1-2H3
InChIKeyBWVMUHKLTZRJOF-UHFFFAOYSA-N
XLogP1.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-6-oxopyridazin-1(6H)-yl)-N-(4-methylthiazol-2-yl)acetamide
CID 49704598
3-[[2-[Cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
CID 86769619
N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 75388794
N-(2-methoxyethyl)-N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 132288112
2-(Propan-2-yl)-6-{4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 163351748
2-(3-methyl-6-oxopyridazin-1(6H)-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 49704796
1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081125
N-(4-methylthiazol-2-yl)-6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxamide
CID 18081300
6-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30135199
N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 30901546
3-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 37848537
1-ethyl-N-(4-methylthiazol-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012395

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one (CID 75427160) is 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2csc(N(C)C3CC3)n2)n1.
What is the InChIKey of 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is BWVMUHKLTZRJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-3-6-12(18)17(15-9)7-10-8-19-13(14-10)16(2)11-4-5-11/h3,6,8,11H,4-5,7H2,1-2H3.
What are the key properties of 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 276.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 75427160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).