N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H19N5S — CID 167749832

IUPACN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NC3[C@H]4CN(Cc5ccccc5)C[C@@H]34)sc2n1
InChIInChI=1S/C17H19N5S/c1-11-7-22-17(18-11)23-16(20-22)19-15-13-9-21(10-14(13)15)8-12-5-3-2-4-6-12/h2-7,13-15H,8-10H2,1H3,(H,19,20)/t13-,14+,15?
InChIKeyPVTLRLJOXBSIQR-YIONKMFJSA-N
MW325.44 g/mol
LogP2.64
Rot. Bonds4

About N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 167749832) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID167749832
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NC3[C@H]4CN(Cc5ccccc5)C[C@@H]34)sc2n1
InChIInChI=1S/C17H19N5S/c1-11-7-22-17(18-11)23-16(20-22)19-15-13-9-21(10-14(13)15)8-12-5-3-2-4-6-12/h2-7,13-15H,8-10H2,1H3,(H,19,20)/t13-,14+,15?
InChIKeyPVTLRLJOXBSIQR-YIONKMFJSA-N
XLogP2.64
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417774
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 154764205
2-N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]benzene-1,2-diamine
CID 59075574
N-[(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95286708
3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 130855630
3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
CID 47293073
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 136586447
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 154780076
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 146140584
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide
CID 167755656
4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 167813222
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 167749832) is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NC3[C@H]4CN(Cc5ccccc5)C[C@@H]34)sc2n1.
What is the InChIKey of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PVTLRLJOXBSIQR-YIONKMFJSA-N. The full InChI is InChI=1S/C17H19N5S/c1-11-7-22-17(18-11)23-16(20-22)19-15-13-9-21(10-14(13)15)8-12-5-3-2-4-6-12/h2-7,13-15H,8-10H2,1H3,(H,19,20)/t13-,14+,15?.
What are the key properties of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 325.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 167749832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).