N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide

C17H20N2OS — CID 18554625

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H20N2OS/c20-16(13-6-4-5-7-13)18-11-10-15-12-21-17(19-15)14-8-2-1-3-9-14/h1-3,8-9,12-13H,4-7,10-11H2,(H,18,20)
InChIKeyUBGGAYPDIOUPGK-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide (PubChem CID 18554625) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
PubChem CID18554625
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H20N2OS/c20-16(13-6-4-5-7-13)18-11-10-15-12-21-17(19-15)14-8-2-1-3-9-14/h1-3,8-9,12-13H,4-7,10-11H2,(H,18,20)
InChIKeyUBGGAYPDIOUPGK-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide (CID 18554625) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is UBGGAYPDIOUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-16(13-6-4-5-7-13)18-11-10-15-12-21-17(19-15)14-8-2-1-3-9-14/h1-3,8-9,12-13H,4-7,10-11H2,(H,18,20).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 18554625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).