[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

C16H15Cl2N5OS — CID 150036652

IUPAC[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
SMILESNC1C2CN(c3nc4sc(-c5cccc(Cl)c5Cl)nn4c3CO)CC12
InChIInChI=1S/C16H15Cl2N5OS/c17-10-3-1-2-7(12(10)18)15-21-23-11(6-24)14(20-16(23)25-15)22-4-8-9(5-22)13(8)19/h1-3,8-9,13,24H,4-6,19H2
InChIKeyDIKAORMHTKGLTA-UHFFFAOYSA-N
MW396.30 g/mol
LogP2.65
Rot. Bonds3

About [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

[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 (PubChem CID 150036652) has the molecular formula C16H15Cl2N5OS and a molecular weight of 396.30 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID150036652
Molecular FormulaC16H15Cl2N5OS
Molecular Weight396.30 g/mol
Exact Mass395.04
IUPAC Name[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
SMILESNC1C2CN(c3nc4sc(-c5cccc(Cl)c5Cl)nn4c3CO)CC12
InChIInChI=1S/C16H15Cl2N5OS/c17-10-3-1-2-7(12(10)18)15-21-23-11(6-24)14(20-16(23)25-15)22-4-8-9(5-22)13(8)19/h1-3,8-9,13,24H,4-6,19H2
InChIKeyDIKAORMHTKGLTA-UHFFFAOYSA-N
XLogP2.65
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(3-aminopiperidin-1-yl)-2-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 150239625
6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile
CID 166658441
2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 156805975
3-[6-amino-5-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 149049851
[2-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961573
[4-amino-3-(3-aminopyrrolidin-1-yl)-6-(2,3-dichlorophenyl)-2-pyridinyl]methanol
CID 147779984
3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,3-dichlorophenyl)sulfanyl-1H-pyrazin-2-one
CID 139509479
2-(2,3-dichlorophenyl)-4,5-dimethyl-1,3-thiazole
CID 143281745
6-(2,3-dichlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 158163317
2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337953
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
CID 158555403
3-(2,3-dichlorophenyl)-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45494238

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is NC1C2CN(c3nc4sc(-c5cccc(Cl)c5Cl)nn4c3CO)CC12.
What is the InChIKey of [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?
The InChIKey is DIKAORMHTKGLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5OS/c17-10-3-1-2-7(12(10)18)15-21-23-11(6-24)14(20-16(23)25-15)22-4-8-9(5-22)13(8)19/h1-3,8-9,13,24H,4-6,19H2.
What are the key properties of [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?
[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 has a molecular weight of 396.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 150036652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).