1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C25H25N5O2S — CID 55983837

IUPAC1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C25H25N5O2S/c26-24(32)22-10-5-11-29(22)14-17-6-4-9-19(12-17)27-23(31)13-20-16-33-25-28-21(15-30(20)25)18-7-2-1-3-8-18/h1-4,6-9,12,15-16,22H,5,10-11,13-14H2,(H2,26,32)(H,27,31)
InChIKeyFWEIHINJJZXTTQ-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.69
Rot. Bonds7

About 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55983837) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55983837
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C25H25N5O2S/c26-24(32)22-10-5-11-29(22)14-17-6-4-9-19(12-17)27-23(31)13-20-16-33-25-28-21(15-30(20)25)18-7-2-1-3-8-18/h1-4,6-9,12,15-16,22H,5,10-11,13-14H2,(H2,26,32)(H,27,31)
InChIKeyFWEIHINJJZXTTQ-UHFFFAOYSA-N
XLogP3.69
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 55983837) is 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1.
What is the InChIKey of 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FWEIHINJJZXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c26-24(32)22-10-5-11-29(22)14-17-6-4-9-19(12-17)27-23(31)13-20-16-33-25-28-21(15-30(20)25)18-7-2-1-3-8-18/h1-4,6-9,12,15-16,22H,5,10-11,13-14H2,(H2,26,32)(H,27,31).
What are the key properties of 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55983837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).