2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide

C26H37N7OS — CID 50829778

IUPAC2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(CC)cc4)nc3s2)CC1
InChIInChI=1S/C26H37N7OS/c1-3-13-27-22(34)18-31-14-16-32(17-15-31)26-30-33-24(28-21-7-5-6-8-21)23(29-25(33)35-26)20-11-9-19(4-2)10-12-20/h9-12,21,28H,3-8,13-18H2,1-2H3,(H,27,34)
InChIKeyBTTQZROLLXFEBX-UHFFFAOYSA-N
MW495.70 g/mol
LogP4.02
Rot. Bonds9

About 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide

2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide (PubChem CID 50829778) has the molecular formula C26H37N7OS and a molecular weight of 495.70 g/mol. Its IUPAC name is 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide
PubChem CID50829778
Molecular FormulaC26H37N7OS
Molecular Weight495.70 g/mol
Exact Mass495.28
IUPAC Name2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(CC)cc4)nc3s2)CC1
InChIInChI=1S/C26H37N7OS/c1-3-13-27-22(34)18-31-14-16-32(17-15-31)26-30-33-24(28-21-7-5-6-8-21)23(29-25(33)35-26)20-11-9-19(4-2)10-12-20/h9-12,21,28H,3-8,13-18H2,1-2H3,(H,27,34)
InChIKeyBTTQZROLLXFEBX-UHFFFAOYSA-N
XLogP4.02
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.70
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide (CID 50829778) is 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(CC)cc4)nc3s2)CC1.
What is the InChIKey of 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is BTTQZROLLXFEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7OS/c1-3-13-27-22(34)18-31-14-16-32(17-15-31)26-30-33-24(28-21-7-5-6-8-21)23(29-25(33)35-26)20-11-9-19(4-2)10-12-20/h9-12,21,28H,3-8,13-18H2,1-2H3,(H,27,34).
What are the key properties of 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide?
2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 495.70 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(cyclopentylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 50829778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).