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

C15H22N4OS — CID 82442963

IUPAC2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCCCCn1nc(C)cc(-c2csc(NC(C)C)n2)c1=O
InChIInChI=1S/C15H22N4OS/c1-5-6-7-19-14(20)12(8-11(4)18-19)13-9-21-15(17-13)16-10(2)3/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyNFTRIQBODVZJRF-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.30
Rot. Bonds6

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

2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one (PubChem CID 82442963) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
PubChem CID82442963
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
SMILESCCCCn1nc(C)cc(-c2csc(NC(C)C)n2)c1=O
InChIInChI=1S/C15H22N4OS/c1-5-6-7-19-14(20)12(8-11(4)18-19)13-9-21-15(17-13)16-10(2)3/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyNFTRIQBODVZJRF-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
CID 82442841
4-[2-(ethylamino)-1,3-thiazol-4-yl]-6-methyl-2-propylpyridazin-3-one
CID 82442840
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442767
6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
CID 82442832
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-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine
CID 176584834
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
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
4-[2,5-dimethyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 8878341

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one (CID 82442963) is 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one is CCCCn1nc(C)cc(-c2csc(NC(C)C)n2)c1=O.
What is the InChIKey of 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
The InChIKey is NFTRIQBODVZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-6-7-19-14(20)12(8-11(4)18-19)13-9-21-15(17-13)16-10(2)3/h8-10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one?
2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one has a molecular weight of 306.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one is sourced from PubChem (CID 82442963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).