2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole

C18H28N6S — CID 72853970

IUPAC2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole
SMILESCCCN1CCc2[nH]cnc2C12CCN(c1nnc(C(C)C)s1)CC2
InChIInChI=1S/C18H28N6S/c1-4-8-24-9-5-14-15(20-12-19-14)18(24)6-10-23(11-7-18)17-22-21-16(25-17)13(2)3/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyPXMHHXUIMSVERT-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.15
Rot. Bonds4

About 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole

2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole (PubChem CID 72853970) has the molecular formula C18H28N6S and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole
PubChem CID72853970
Molecular FormulaC18H28N6S
Molecular Weight360.53 g/mol
Exact Mass360.21
IUPAC Name2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole
SMILESCCCN1CCc2[nH]cnc2C12CCN(c1nnc(C(C)C)s1)CC2
InChIInChI=1S/C18H28N6S/c1-4-8-24-9-5-14-15(20-12-19-14)18(24)6-10-23(11-7-18)17-22-21-16(25-17)13(2)3/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyPXMHHXUIMSVERT-UHFFFAOYSA-N
XLogP3.15
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole (CID 72853970) is 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole is CCCN1CCc2[nH]cnc2C12CCN(c1nnc(C(C)C)s1)CC2.
What is the InChIKey of 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole?
The InChIKey is PXMHHXUIMSVERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6S/c1-4-8-24-9-5-14-15(20-12-19-14)18(24)6-10-23(11-7-18)17-22-21-16(25-17)13(2)3/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole?
2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole has a molecular weight of 360.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 72853970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).