N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C24H30FN7OS — CID 46335708

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)c1cccn1-c1nnc(N2CCCC2)s1
InChIInChI=1S/C24H30FN7OS/c25-19-7-1-2-8-20(19)30-17-15-29(16-18-30)11-6-10-26-22(33)21-9-5-14-32(21)24-28-27-23(34-24)31-12-3-4-13-31/h1-2,5,7-9,14H,3-4,6,10-13,15-18H2,(H,26,33)
InChIKeyCYNCBMIYNJTKCD-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.01
Rot. Bonds8

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 46335708) has the molecular formula C24H30FN7OS and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID46335708
Molecular FormulaC24H30FN7OS
Molecular Weight483.62 g/mol
Exact Mass483.22
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)c1cccn1-c1nnc(N2CCCC2)s1
InChIInChI=1S/C24H30FN7OS/c25-19-7-1-2-8-20(19)30-17-15-29(16-18-30)11-6-10-26-22(33)21-9-5-14-32(21)24-28-27-23(34-24)31-12-3-4-13-31/h1-2,5,7-9,14H,3-4,6,10-13,15-18H2,(H,26,33)
InChIKeyCYNCBMIYNJTKCD-UHFFFAOYSA-N
XLogP3.01
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335796
N-(3-morpholin-4-ylpropyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335773
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 22510936
N-(2-phenylethyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335775
N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20936990
N-ethyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937089
N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937066
1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 46335810
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxylic acid
CID 20885093
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42224330

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 46335708) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cccn1-c1nnc(N2CCCC2)s1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is CYNCBMIYNJTKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7OS/c25-19-7-1-2-8-20(19)30-17-15-29(16-18-30)11-6-10-26-22(33)21-9-5-14-32(21)24-28-27-23(34-24)31-12-3-4-13-31/h1-2,5,7-9,14H,3-4,6,10-13,15-18H2,(H,26,33).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 46335708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).