N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C15H18N4O2S — CID 52900017

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1C
InChIInChI=1S/C15H18N4O2S/c1-9-10(2)22-15(16-9)17-13(20)8-19-14(21)7-11-5-3-4-6-12(11)18-19/h7H,3-6,8H2,1-2H3,(H,16,17,20)
InChIKeyORJIHZPAUQZSRU-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.83
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 52900017) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID52900017
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1C
InChIInChI=1S/C15H18N4O2S/c1-9-10(2)22-15(16-9)17-13(20)8-19-14(21)7-11-5-3-4-6-12(11)18-19/h7H,3-6,8H2,1-2H3,(H,16,17,20)
InChIKeyORJIHZPAUQZSRU-UHFFFAOYSA-N
XLogP1.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide with MolForge

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Related Compounds

methyl 5-methyl-2-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71827873
ethyl 4-methyl-2-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 52902292
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099
2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 53367854
N-cyclopropyl-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 75465729
methyl 4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]benzoate
CID 52902310
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928893
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 154583574
N-(2-ethylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)acetamide
CID 22425572
2-(3,3-dimethyl-2-oxobutyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 51075108
N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52902394
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517381

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 52900017) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is Cc1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is ORJIHZPAUQZSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-10(2)22-15(16-9)17-13(20)8-19-14(21)7-11-5-3-4-6-12(11)18-19/h7H,3-6,8H2,1-2H3,(H,16,17,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 52900017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).