6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one

C14H20N4OS — CID 82442841

IUPAC6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(-c2csc(NC(C)C)n2)c1=O
InChIInChI=1S/C14H20N4OS/c1-5-6-18-13(19)11(7-10(4)17-18)12-8-20-14(16-12)15-9(2)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyGNIALAQWFBXURX-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.91
Rot. Bonds5

About 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one

6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one (PubChem CID 82442841) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
PubChem CID82442841
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C)cc(-c2csc(NC(C)C)n2)c1=O
InChIInChI=1S/C14H20N4OS/c1-5-6-18-13(19)11(7-10(4)17-18)12-8-20-14(16-12)15-9(2)3/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyGNIALAQWFBXURX-UHFFFAOYSA-N
XLogP2.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442963
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
CID 82442832
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442767
2,6-dimethyl-4-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442688
1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525387
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523299
4-(2-amino-1,3-thiazol-4-yl)-6-tert-butyl-2-propylpyridazin-3-one
CID 82443633
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 62941260
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one?
The IUPAC name of 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one (CID 82442841) is 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one is CCCn1nc(C)cc(-c2csc(NC(C)C)n2)c1=O.
What is the InChIKey of 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one?
The InChIKey is GNIALAQWFBXURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-6-18-13(19)11(7-10(4)17-18)12-8-20-14(16-12)15-9(2)3/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one?
6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one has a molecular weight of 292.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 82442841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).