N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide

C17H18N6OS — CID 138590861

IUPACN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1nnc(-c2ccc3nnc(NC(=O)CN4CCCC4)cc3c2)s1
InChIInChI=1S/C17H18N6OS/c1-11-19-22-17(25-11)12-4-5-14-13(8-12)9-15(21-20-14)18-16(24)10-23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21,24)
InChIKeyCIXFXWSEJALKKZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.49
Rot. Bonds4

About N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide

N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 138590861) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID138590861
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1nnc(-c2ccc3nnc(NC(=O)CN4CCCC4)cc3c2)s1
InChIInChI=1S/C17H18N6OS/c1-11-19-22-17(25-11)12-4-5-14-13(8-12)9-15(21-20-14)18-16(24)10-23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21,24)
InChIKeyCIXFXWSEJALKKZ-UHFFFAOYSA-N
XLogP2.49
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,2-difluoroethyl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586733
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138586932
(1R,5S)-3-amino-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138590099
(3R,4S)-4-amino-3-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138591346
2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590328
N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
CID 166955080
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
2-(4-methoxypiperidin-1-yl)-N-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]acetamide
CID 138589269
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116
N-[1-[4-(2-fluoroethyl)piperazin-1-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetamide
CID 140816391
2-(diethylamino)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]cinnolin-3-yl]acetamide
CID 138591190

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide (CID 138590861) is N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide is Cc1nnc(-c2ccc3nnc(NC(=O)CN4CCCC4)cc3c2)s1.
What is the InChIKey of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is CIXFXWSEJALKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-11-19-22-17(25-11)12-4-5-14-13(8-12)9-15(21-20-14)18-16(24)10-23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21,24).
What are the key properties of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide?
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 354.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 138590861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).