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

C23H30N6OS — CID 50825745

IUPAC1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccccc4)nc3s2)CC1
InChIInChI=1S/C23H30N6OS/c1-16(2)21(30)27-12-14-28(15-13-27)23-26-29-20(24-18-10-6-7-11-18)19(25-22(29)31-23)17-8-4-3-5-9-17/h3-5,8-9,16,18,24H,6-7,10-15H2,1-2H3
InChIKeyLJKPYWJPKWHESF-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.12
Rot. Bonds5

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

1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 50825745) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID50825745
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccccc4)nc3s2)CC1
InChIInChI=1S/C23H30N6OS/c1-16(2)21(30)27-12-14-28(15-13-27)23-26-29-20(24-18-10-6-7-11-18)19(25-22(29)31-23)17-8-4-3-5-9-17/h3-5,8-9,16,18,24H,6-7,10-15H2,1-2H3
InChIKeyLJKPYWJPKWHESF-UHFFFAOYSA-N
XLogP4.12
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.12
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]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 50825745) is 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-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]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=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]-2-methylpropan-1-one?
The InChIKey is LJKPYWJPKWHESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-16(2)21(30)27-12-14-28(15-13-27)23-26-29-20(24-18-10-6-7-11-18)19(25-22(29)31-23)17-8-4-3-5-9-17/h3-5,8-9,16,18,24H,6-7,10-15H2,1-2H3.
What are the key properties of 1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 438.60 g/mol, XLogP of 4.12, 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]-2-methylpropan-1-one is sourced from PubChem (CID 50825745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).