N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide

C22H27N5OS — CID 25232161

IUPACN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)C1CCCC1
InChIInChI=1S/C22H27N5OS/c28-21(16-5-1-2-6-16)24-19-8-4-3-7-18(19)20-14-27-17(15-29-22(27)25-20)13-26-11-9-23-10-12-26/h3-4,7-8,14-16,23H,1-2,5-6,9-13H2,(H,24,28)
InChIKeyIQQPNFBFZUKMFS-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.60
Rot. Bonds5

About N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide (PubChem CID 25232161) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide
PubChem CID25232161
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)C1CCCC1
InChIInChI=1S/C22H27N5OS/c28-21(16-5-1-2-6-16)24-19-8-4-3-7-18(19)20-14-27-17(15-29-22(27)25-20)13-26-11-9-23-10-12-26/h3-4,7-8,14-16,23H,1-2,5-6,9-13H2,(H,24,28)
InChIKeyIQQPNFBFZUKMFS-UHFFFAOYSA-N
XLogP3.60
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide (CID 25232161) is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)C1CCCC1.
What is the InChIKey of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is IQQPNFBFZUKMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c28-21(16-5-1-2-6-16)24-19-8-4-3-7-18(19)20-14-27-17(15-29-22(27)25-20)13-26-11-9-23-10-12-26/h3-4,7-8,14-16,23H,1-2,5-6,9-13H2,(H,24,28).
What are the key properties of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide?
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 25232161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).