[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C16H17Cl2N5OS — CID 150239625

IUPAC[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESNC1CCCN(c2nc3sc(-c4cccc(Cl)c4Cl)nn3c2CO)C1
InChIInChI=1S/C16H17Cl2N5OS/c17-11-5-1-4-10(13(11)18)15-21-23-12(8-24)14(20-16(23)25-15)22-6-2-3-9(19)7-22/h1,4-5,9,24H,2-3,6-8,19H2
InChIKeyFXGFLTKUBMKSAJ-UHFFFAOYSA-N
MW398.32 g/mol
LogP3.18
Rot. Bonds3

About [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 150239625) has the molecular formula C16H17Cl2N5OS and a molecular weight of 398.32 g/mol. Its IUPAC name is [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID150239625
Molecular FormulaC16H17Cl2N5OS
Molecular Weight398.32 g/mol
Exact Mass397.05
IUPAC Name[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESNC1CCCN(c2nc3sc(-c4cccc(Cl)c4Cl)nn3c2CO)C1
InChIInChI=1S/C16H17Cl2N5OS/c17-11-5-1-4-10(13(11)18)15-21-23-12(8-24)14(20-16(23)25-15)22-6-2-3-9(19)7-22/h1,4-5,9,24H,2-3,6-8,19H2
InChIKeyFXGFLTKUBMKSAJ-UHFFFAOYSA-N
XLogP3.18
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 150036652
[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol
CID 147779984
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
1-[3-amino-6-(2-chlorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 149024931
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
ethyl 2-[(3R)-3-aminopiperidin-1-yl]-3-(2-chlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
CID 11626602
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327

Frequently Asked Questions

What is the IUPAC name of [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 150239625) is [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is NC1CCCN(c2nc3sc(-c4cccc(Cl)c4Cl)nn3c2CO)C1.
What is the InChIKey of [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is FXGFLTKUBMKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5OS/c17-11-5-1-4-10(13(11)18)15-21-23-12(8-24)14(20-16(23)25-15)22-6-2-3-9(19)7-22/h1,4-5,9,24H,2-3,6-8,19H2.
What are the key properties of [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 398.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 150239625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).