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

C17H19N5OS2 — CID 46335810

IUPAC1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C17H19N5OS2/c23-15(18-12-13-6-5-11-24-13)14-7-4-10-22(14)17-20-19-16(25-17)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12H2,(H,18,23)
InChIKeyHKXXXCHQMNDLMB-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.31
Rot. Bonds5

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

1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 46335810) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID46335810
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC Name1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C17H19N5OS2/c23-15(18-12-13-6-5-11-24-13)14-7-4-10-22(14)17-20-19-16(25-17)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12H2,(H,18,23)
InChIKeyHKXXXCHQMNDLMB-UHFFFAOYSA-N
XLogP3.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2,5-dimethoxyphenyl)methyl]pyrrole-2-carboxamide
CID 22510924
N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937066
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 22510936
7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053747
N-[3-[butyl(ethyl)amino]propyl]-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 46335786
N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937051
1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 46335747
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
6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide
CID 7130488
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carbaldehyde
CID 50742382

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 46335810) is 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is O=C(NCc1cccs1)c1cccn1-c1nnc(N2CCCCC2)s1.
What is the InChIKey of 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is HKXXXCHQMNDLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c23-15(18-12-13-6-5-11-24-13)14-7-4-10-22(14)17-20-19-16(25-17)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12H2,(H,18,23).
What are the key properties of 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 373.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 46335810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).