N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C18H18BrN5OS — CID 20937051

IUPACN-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C18H18BrN5OS/c19-13-7-2-3-8-14(13)20-16(25)15-9-6-12-24(15)18-22-21-17(26-18)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,25)
InChIKeyFQFNOOLIBLXQDN-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.33
Rot. Bonds4

About N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 20937051) has the molecular formula C18H18BrN5OS and a molecular weight of 432.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID20937051
Molecular FormulaC18H18BrN5OS
Molecular Weight432.35 g/mol
Exact Mass431.04
IUPAC NameN-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C18H18BrN5OS/c19-13-7-2-3-8-14(13)20-16(25)15-9-6-12-24(15)18-22-21-17(26-18)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,25)
InChIKeyFQFNOOLIBLXQDN-UHFFFAOYSA-N
XLogP4.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937066
N-ethyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937089
N-(2-phenylethyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335775
N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335689
N-(3-methylbutyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20936990
N-(3-morpholin-4-ylpropyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335773
N-[3-[butyl(ethyl)amino]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335786
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2,5-dimethoxyphenyl)methyl]pyrrole-2-carboxamide
CID 22510924
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
azepan-1-yl-[1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methanone
CID 20937035
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-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182869

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 20937051) is N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is O=C(Nc1ccccc1Br)c1cccn1-c1nnc(N2CCCCC2)s1.
What is the InChIKey of N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is FQFNOOLIBLXQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5OS/c19-13-7-2-3-8-14(13)20-16(25)15-9-6-12-24(15)18-22-21-17(26-18)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,25).
What are the key properties of N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 432.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 20937051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).