2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

C18H18N4O2S — CID 122278884

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)C(C)n3nc(C4CC4)ccc3=O)sc2c1
InChIInChI=1S/C18H18N4O2S/c1-10-3-6-14-15(9-10)25-18(19-14)20-17(24)11(2)22-16(23)8-7-13(21-22)12-4-5-12/h3,6-9,11-12H,4-5H2,1-2H3,(H,19,20,24)
InChIKeyMJYZFHIJGCLWQI-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 122278884) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID122278884
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)C(C)n3nc(C4CC4)ccc3=O)sc2c1
InChIInChI=1S/C18H18N4O2S/c1-10-3-6-14-15(9-10)25-18(19-14)20-17(24)11(2)22-16(23)8-7-13(21-22)12-4-5-12/h3,6-9,11-12H,4-5H2,1-2H3,(H,19,20,24)
InChIKeyMJYZFHIJGCLWQI-UHFFFAOYSA-N
XLogP3.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176221
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101126
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 122278953
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279942
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7663227
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280060
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 122278784
N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122278968

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 122278884) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1ccc2nc(NC(=O)C(C)n3nc(C4CC4)ccc3=O)sc2c1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is MJYZFHIJGCLWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-3-6-14-15(9-10)25-18(19-14)20-17(24)11(2)22-16(23)8-7-13(21-22)12-4-5-12/h3,6-9,11-12H,4-5H2,1-2H3,(H,19,20,24).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 354.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 122278884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).