2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide

C25H37N7O2S — CID 50772343

IUPAC2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN(C)c1nn2c(NC3CCCC3)c(-c3ccc(OC)cc3)nc2s1
InChIInChI=1S/C25H37N7O2S/c1-5-31(6-2)16-15-26-21(33)17-30(3)25-29-32-23(27-19-9-7-8-10-19)22(28-24(32)35-25)18-11-13-20(34-4)14-12-18/h11-14,19,27H,5-10,15-17H2,1-4H3,(H,26,33)
InChIKeyXIDDVMXIXXTBMM-UHFFFAOYSA-N
MW499.69 g/mol
LogP3.72
Rot. Bonds12

About 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide

2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 50772343) has the molecular formula C25H37N7O2S and a molecular weight of 499.69 g/mol. Its IUPAC name is 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID50772343
Molecular FormulaC25H37N7O2S
Molecular Weight499.69 g/mol
Exact Mass499.27
IUPAC Name2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN(C)c1nn2c(NC3CCCC3)c(-c3ccc(OC)cc3)nc2s1
InChIInChI=1S/C25H37N7O2S/c1-5-31(6-2)16-15-26-21(33)17-30(3)25-29-32-23(27-19-9-7-8-10-19)22(28-24(32)35-25)18-11-13-20(34-4)14-12-18/h11-14,19,27H,5-10,15-17H2,1-4H3,(H,26,33)
InChIKeyXIDDVMXIXXTBMM-UHFFFAOYSA-N
XLogP3.72
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.69
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide (CID 50772343) is 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CN(C)c1nn2c(NC3CCCC3)c(-c3ccc(OC)cc3)nc2s1.
What is the InChIKey of 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is XIDDVMXIXXTBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N7O2S/c1-5-31(6-2)16-15-26-21(33)17-30(3)25-29-32-23(27-19-9-7-8-10-19)22(28-24(32)35-25)18-11-13-20(34-4)14-12-18/h11-14,19,27H,5-10,15-17H2,1-4H3,(H,26,33).
What are the key properties of 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide?
2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 499.69 g/mol, XLogP of 3.72, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopentylamino)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 50772343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).