1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine

C19H23N5S — CID 20926755

IUPAC1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
SMILESc1ccc(CNCc2cccn2-c2nnc(N3CCCCC3)s2)cc1
InChIInChI=1S/C19H23N5S/c1-3-8-16(9-4-1)14-20-15-17-10-7-13-24(17)19-22-21-18(25-19)23-11-5-2-6-12-23/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2
InChIKeyPNZYIYWRUVOPJQ-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.61
Rot. Bonds6

About 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine

1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine (PubChem CID 20926755) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
PubChem CID20926755
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine
SMILESc1ccc(CNCc2cccn2-c2nnc(N3CCCCC3)s2)cc1
InChIInChI=1S/C19H23N5S/c1-3-8-16(9-4-1)14-20-15-17-10-7-13-24(17)19-22-21-18(25-19)23-11-5-2-6-12-23/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2
InChIKeyPNZYIYWRUVOPJQ-UHFFFAOYSA-N
XLogP3.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The IUPAC name of 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine (CID 20926755) is 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine is c1ccc(CNCc2cccn2-c2nnc(N3CCCCC3)s2)cc1.
What is the InChIKey of 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
The InChIKey is PNZYIYWRUVOPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-3-8-16(9-4-1)14-20-15-17-10-7-13-24(17)19-22-21-18(25-19)23-11-5-2-6-12-23/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2.
What are the key properties of 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine?
1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine has a molecular weight of 353.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]methyl]methanamine is sourced from PubChem (CID 20926755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).