N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C19H21N5OS — CID 46335689

IUPACN-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccn1-c1nnc(N2CCCC2)s1
InChIInChI=1S/C19H21N5OS/c25-17(20-11-10-15-7-2-1-3-8-15)16-9-6-14-24(16)19-22-21-18(26-19)23-12-4-5-13-23/h1-3,6-9,14H,4-5,10-13H2,(H,20,25)
InChIKeyXCMPFGNLYOQHSI-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.90
Rot. Bonds6

About N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 46335689) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID46335689
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccn1-c1nnc(N2CCCC2)s1
InChIInChI=1S/C19H21N5OS/c25-17(20-11-10-15-7-2-1-3-8-15)16-9-6-14-24(16)19-22-21-18(26-19)23-12-4-5-13-23/h1-3,6-9,14H,4-5,10-13H2,(H,20,25)
InChIKeyXCMPFGNLYOQHSI-UHFFFAOYSA-N
XLogP2.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 46335689) is N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is O=C(NCCc1ccccc1)c1cccn1-c1nnc(N2CCCC2)s1.
What is the InChIKey of N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is XCMPFGNLYOQHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c25-17(20-11-10-15-7-2-1-3-8-15)16-9-6-14-24(16)19-22-21-18(26-19)23-12-4-5-13-23/h1-3,6-9,14H,4-5,10-13H2,(H,20,25).
What are the key properties of N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 46335689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).