N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

C24H29N7O2S — CID 74982640

IUPACN-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)NC3CCCC3)s2)nn1
InChIInChI=1S/C24H29N7O2S/c32-21(16-17-8-2-1-3-9-17)26-20-15-14-19(28-29-20)12-6-7-13-22-30-31-24(34-22)27-23(33)25-18-10-4-5-11-18/h1-3,8-9,14-15,18H,4-7,10-13,16H2,(H,26,29,32)(H2,25,27,31,33)
InChIKeyJHZFRIYSULUXQK-UHFFFAOYSA-N
MW479.61 g/mol
LogP4.14
Rot. Bonds10

About N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide (PubChem CID 74982640) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
PubChem CID74982640
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC NameN-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)NC3CCCC3)s2)nn1
InChIInChI=1S/C24H29N7O2S/c32-21(16-17-8-2-1-3-9-17)26-20-15-14-19(28-29-20)12-6-7-13-22-30-31-24(34-22)27-23(33)25-18-10-4-5-11-18/h1-3,8-9,14-15,18H,4-7,10-13,16H2,(H,26,29,32)(H2,25,27,31,33)
InChIKeyJHZFRIYSULUXQK-UHFFFAOYSA-N
XLogP4.14
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide (CID 74982640) is N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)NC3CCCC3)s2)nn1.
What is the InChIKey of N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The InChIKey is JHZFRIYSULUXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c32-21(16-17-8-2-1-3-9-17)26-20-15-14-19(28-29-20)12-6-7-13-22-30-31-24(34-22)27-23(33)25-18-10-4-5-11-18/h1-3,8-9,14-15,18H,4-7,10-13,16H2,(H,26,29,32)(H2,25,27,31,33).
What are the key properties of N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide has a molecular weight of 479.61 g/mol, XLogP of 4.14, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 74982640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).