N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide

C22H26N6O2S — CID 138586932

IUPACN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1nnc(-c2ccc3nnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)s1
InChIInChI=1S/C22H26N6O2S/c1-14-24-27-22(31-14)16-4-7-19-17(12-16)13-20(26-25-19)23-21(29)15-2-5-18(6-3-15)28-8-10-30-11-9-28/h4,7,12-13,15,18H,2-3,5-6,8-11H2,1H3,(H,23,26,29)
InChIKeyVEMIXBHYJASJNG-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.29
Rot. Bonds4

About N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide

N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 138586932) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID138586932
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1nnc(-c2ccc3nnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)s1
InChIInChI=1S/C22H26N6O2S/c1-14-24-27-22(31-14)16-4-7-19-17(12-16)13-20(26-25-19)23-21(29)15-2-5-18(6-3-15)28-8-10-30-11-9-28/h4,7,12-13,15,18H,2-3,5-6,8-11H2,1H3,(H,23,26,29)
InChIKeyVEMIXBHYJASJNG-UHFFFAOYSA-N
XLogP3.29
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138587970
1-(2,2-difluoroethyl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586733
(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
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138590861
(3R,4S)-4-amino-3-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138591346
3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide
CID 138590974
2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590328
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589547
4-(1,3-difluoropropan-2-ylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138580150
1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138588116
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138579956

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (CID 138586932) is N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide is Cc1nnc(-c2ccc3nnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)s1.
What is the InChIKey of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is VEMIXBHYJASJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-14-24-27-22(31-14)16-4-7-19-17(12-16)13-20(26-25-19)23-21(29)15-2-5-18(6-3-15)28-8-10-30-11-9-28/h4,7,12-13,15,18H,2-3,5-6,8-11H2,1H3,(H,23,26,29).
What are the key properties of N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-4-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 138586932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).