2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole

C19H30N6S — CID 20926562

IUPAC2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCCN1CCN(Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)CC1
InChIInChI=1S/C19H30N6S/c1-3-22-11-13-23(14-12-22)15-17-5-4-8-25(17)19-21-20-18(26-19)24-9-6-16(2)7-10-24/h4-5,8,16H,3,6-7,9-15H2,1-2H3
InChIKeyBGQYXQOGQZZCON-UHFFFAOYSA-N
MW374.56 g/mol
LogP2.70
Rot. Bonds5

About 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole

2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 20926562) has the molecular formula C19H30N6S and a molecular weight of 374.56 g/mol. Its IUPAC name is 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID20926562
Molecular FormulaC19H30N6S
Molecular Weight374.56 g/mol
Exact Mass374.23
IUPAC Name2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCCN1CCN(Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)CC1
InChIInChI=1S/C19H30N6S/c1-3-22-11-13-23(14-12-22)15-17-5-4-8-25(17)19-21-20-18(26-19)24-9-6-16(2)7-10-24/h4-5,8,16H,3,6-7,9-15H2,1-2H3
InChIKeyBGQYXQOGQZZCON-UHFFFAOYSA-N
XLogP2.70
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole (CID 20926562) is 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole is CCN1CCN(Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)CC1.
What is the InChIKey of 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is BGQYXQOGQZZCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6S/c1-3-22-11-13-23(14-12-22)15-17-5-4-8-25(17)19-21-20-18(26-19)24-9-6-16(2)7-10-24/h4-5,8,16H,3,6-7,9-15H2,1-2H3.
What are the key properties of 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole?
2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 374.56 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylpiperazin-1-yl)methyl]pyrrol-1-yl]-5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 20926562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).