N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

C24H34N6S — CID 50825881

IUPACN-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(C4CCCCC4)CC3)nn12
InChIInChI=1S/C24H34N6S/c1-24(2,3)26-21-20(18-10-6-4-7-11-18)25-22-30(21)27-23(31-22)29-16-14-28(15-17-29)19-12-8-5-9-13-19/h4,6-7,10-11,19,26H,5,8-9,12-17H2,1-3H3
InChIKeyDRAYJERJZSYRFN-UHFFFAOYSA-N
MW438.65 g/mol
LogP5.12
Rot. Bonds4

About N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 50825881) has the molecular formula C24H34N6S and a molecular weight of 438.65 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID50825881
Molecular FormulaC24H34N6S
Molecular Weight438.65 g/mol
Exact Mass438.26
IUPAC NameN-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(C4CCCCC4)CC3)nn12
InChIInChI=1S/C24H34N6S/c1-24(2,3)26-21-20(18-10-6-4-7-11-18)25-22-30(21)27-23(31-22)29-16-14-28(15-17-29)19-12-8-5-9-13-19/h4,6-7,10-11,19,26H,5,8-9,12-17H2,1-3H3
InChIKeyDRAYJERJZSYRFN-UHFFFAOYSA-N
XLogP5.12
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 50825881) is N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(C4CCCCC4)CC3)nn12.
What is the InChIKey of N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is DRAYJERJZSYRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6S/c1-24(2,3)26-21-20(18-10-6-4-7-11-18)25-22-30(21)27-23(31-22)29-16-14-28(15-17-29)19-12-8-5-9-13-19/h4,6-7,10-11,19,26H,5,8-9,12-17H2,1-3H3.
What are the key properties of N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine?
N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 438.65 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 50825881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).