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

C15H19N5OS — CID 20937066

IUPACN-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NC1CC1)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C15H19N5OS/c21-13(16-11-6-7-11)12-5-4-10-20(12)15-18-17-14(22-15)19-8-2-1-3-9-19/h4-5,10-11H,1-3,6-9H2,(H,16,21)
InChIKeyOLNRFYWBXOGFDI-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.21
Rot. Bonds4

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

N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 20937066) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID20937066
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NC1CC1)c1cccn1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C15H19N5OS/c21-13(16-11-6-7-11)12-5-4-10-20(12)15-18-17-14(22-15)19-8-2-1-3-9-19/h4-5,10-11H,1-3,6-9H2,(H,16,21)
InChIKeyOLNRFYWBXOGFDI-UHFFFAOYSA-N
XLogP2.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937051
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
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 22510936
1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 46335810
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 20937066) is N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is O=C(NC1CC1)c1cccn1-c1nnc(N2CCCCC2)s1.
What is the InChIKey of N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is OLNRFYWBXOGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-13(16-11-6-7-11)12-5-4-10-20(12)15-18-17-14(22-15)19-8-2-1-3-9-19/h4-5,10-11H,1-3,6-9H2,(H,16,21).
What are the key properties of N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 20937066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).