2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol

C26H32N6O2S — CID 57075335

IUPAC2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol
SMILESCCCN(CCCc1cc[nH]c1C(CO)C1=NS(=O)N=C1NCc1ccccc1)c1ccccn1
InChIInChI=1S/C26H32N6O2S/c1-2-16-32(23-12-6-7-14-27-23)17-8-11-21-13-15-28-24(21)22(19-33)25-26(31-35(34)30-25)29-18-20-9-4-3-5-10-20/h3-7,9-10,12-15,22,28,33H,2,8,11,16-19H2,1H3,(H,29,31)
InChIKeyYUHAKZIEALVCHM-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.56
Rot. Bonds12

About 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol

2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol (PubChem CID 57075335) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol
PubChem CID57075335
Molecular FormulaC26H32N6O2S
Molecular Weight492.65 g/mol
Exact Mass492.23
IUPAC Name2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol
SMILESCCCN(CCCc1cc[nH]c1C(CO)C1=NS(=O)N=C1NCc1ccccc1)c1ccccn1
InChIInChI=1S/C26H32N6O2S/c1-2-16-32(23-12-6-7-14-27-23)17-8-11-21-13-15-28-24(21)22(19-33)25-26(31-35(34)30-25)29-18-20-9-4-3-5-10-20/h3-7,9-10,12-15,22,28,33H,2,8,11,16-19H2,1H3,(H,29,31)
InChIKeyYUHAKZIEALVCHM-UHFFFAOYSA-N
XLogP3.56
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol with MolForge

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Related Compounds

N-butyl-N-propylpyridin-2-amine
CID 138339518
4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
CID 25109388
N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine
CID 57311984
1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 83962170
5-(2-phenylethyl)-N,N-dipropylpyridin-2-amine
CID 174628687
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
5-(1,3-benzodioxol-5-ylmethyl)-2-[4-[propyl(pyridin-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 54143789
N-[6-(dipropylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113045161
N-benzyl-1H-imidazol-2-amine
CID 12847936
N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
CID 166382610
[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol
CID 163726318

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol?
The IUPAC name of 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol (CID 57075335) is 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol is CCCN(CCCc1cc[nH]c1C(CO)C1=NS(=O)N=C1NCc1ccccc1)c1ccccn1.
What is the InChIKey of 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol?
The InChIKey is YUHAKZIEALVCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-2-16-32(23-12-6-7-14-27-23)17-8-11-21-13-15-28-24(21)22(19-33)25-26(31-35(34)30-25)29-18-20-9-4-3-5-10-20/h3-7,9-10,12-15,22,28,33H,2,8,11,16-19H2,1H3,(H,29,31).
What are the key properties of 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol?
2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol has a molecular weight of 492.65 g/mol, XLogP of 3.56, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol is sourced from PubChem (CID 57075335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).