1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one

C22H28N6OS — CID 50825709

IUPAC1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccccc4)nc3s2)CC1
InChIInChI=1S/C22H28N6OS/c1-2-18(29)26-12-14-27(15-13-26)22-25-28-20(23-17-10-6-7-11-17)19(24-21(28)30-22)16-8-4-3-5-9-16/h3-5,8-9,17,23H,2,6-7,10-15H2,1H3
InChIKeyDWZCOHSPWYALIM-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one

1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 50825709) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
PubChem CID50825709
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccccc4)nc3s2)CC1
InChIInChI=1S/C22H28N6OS/c1-2-18(29)26-12-14-27(15-13-26)22-25-28-20(23-17-10-6-7-11-17)19(24-21(28)30-22)16-8-4-3-5-9-16/h3-5,8-9,17,23H,2,6-7,10-15H2,1H3
InChIKeyDWZCOHSPWYALIM-UHFFFAOYSA-N
XLogP3.87
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one (CID 50825709) is 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccccc4)nc3s2)CC1.
What is the InChIKey of 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is DWZCOHSPWYALIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-2-18(29)26-12-14-27(15-13-26)22-25-28-20(23-17-10-6-7-11-17)19(24-21(28)30-22)16-8-4-3-5-9-16/h3-5,8-9,17,23H,2,6-7,10-15H2,1H3.
What are the key properties of 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 424.57 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 50825709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).