[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone

C26H29N7OS — CID 50825780

IUPAC[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(-c2nc3sc(N4CCN(C(=O)c5ccccn5)CC4)nn3c2NC2CCCC2)cc1
InChIInChI=1S/C26H29N7OS/c1-18-9-11-19(12-10-18)22-23(28-20-6-2-3-7-20)33-25(29-22)35-26(30-33)32-16-14-31(15-17-32)24(34)21-8-4-5-13-27-21/h4-5,8-13,20,28H,2-3,6-7,14-17H2,1H3
InChIKeyPREHNRHYNAQXGO-UHFFFAOYSA-N
MW487.63 g/mol
LogP4.48
Rot. Bonds5

About [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone

[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 50825780) has the molecular formula C26H29N7OS and a molecular weight of 487.63 g/mol. Its IUPAC name is [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID50825780
Molecular FormulaC26H29N7OS
Molecular Weight487.63 g/mol
Exact Mass487.22
IUPAC Name[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(-c2nc3sc(N4CCN(C(=O)c5ccccn5)CC4)nn3c2NC2CCCC2)cc1
InChIInChI=1S/C26H29N7OS/c1-18-9-11-19(12-10-18)22-23(28-20-6-2-3-7-20)33-25(29-22)35-26(30-33)32-16-14-31(15-17-32)24(34)21-8-4-5-13-27-21/h4-5,8-13,20,28H,2-3,6-7,14-17H2,1H3
InChIKeyPREHNRHYNAQXGO-UHFFFAOYSA-N
XLogP4.48
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 50825780) is [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone is Cc1ccc(-c2nc3sc(N4CCN(C(=O)c5ccccn5)CC4)nn3c2NC2CCCC2)cc1.
What is the InChIKey of [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is PREHNRHYNAQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7OS/c1-18-9-11-19(12-10-18)22-23(28-20-6-2-3-7-20)33-25(29-22)35-26(30-33)32-16-14-31(15-17-32)24(34)21-8-4-5-13-27-21/h4-5,8-13,20,28H,2-3,6-7,14-17H2,1H3.
What are the key properties of [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
[4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 487.63 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(cyclopentylamino)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 50825780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).