N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide

C17H17N3OS — CID 2999111

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1
InChIInChI=1S/C17H17N3OS/c21-16(13-3-1-2-4-13)18-14-7-5-12(6-8-14)15-11-20-9-10-22-17(20)19-15/h5-11,13H,1-4H2,(H,18,21)
InChIKeySMENTHWNORLECO-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.19
Rot. Bonds3

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide (PubChem CID 2999111) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide
PubChem CID2999111
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1
InChIInChI=1S/C17H17N3OS/c21-16(13-3-1-2-4-13)18-14-7-5-12(6-8-14)15-11-20-9-10-22-17(20)19-15/h5-11,13H,1-4H2,(H,18,21)
InChIKeySMENTHWNORLECO-UHFFFAOYSA-N
XLogP4.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide (CID 2999111) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide?
The InChIKey is SMENTHWNORLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-16(13-3-1-2-4-13)18-14-7-5-12(6-8-14)15-11-20-9-10-22-17(20)19-15/h5-11,13H,1-4H2,(H,18,21).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 2999111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).