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

C15H18N2OS2 — CID 118524461

IUPACN-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1csc(-c2cccs2)n1)C1CCCC1
InChIInChI=1S/C15H18N2OS2/c18-14(11-4-1-2-5-11)16-8-7-12-10-20-15(17-12)13-6-3-9-19-13/h3,6,9-11H,1-2,4-5,7-8H2,(H,16,18)
InChIKeyPDQCQOKTDPWAHF-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.72
Rot. Bonds5

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

N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide (PubChem CID 118524461) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
PubChem CID118524461
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1csc(-c2cccs2)n1)C1CCCC1
InChIInChI=1S/C15H18N2OS2/c18-14(11-4-1-2-5-11)16-8-7-12-10-20-15(17-12)13-6-3-9-19-13/h3,6,9-11H,1-2,4-5,7-8H2,(H,16,18)
InChIKeyPDQCQOKTDPWAHF-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide (CID 118524461) is N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide is O=C(NCCc1csc(-c2cccs2)n1)C1CCCC1.
What is the InChIKey of N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is PDQCQOKTDPWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c18-14(11-4-1-2-5-11)16-8-7-12-10-20-15(17-12)13-6-3-9-19-13/h3,6,9-11H,1-2,4-5,7-8H2,(H,16,18).
What are the key properties of N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 306.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 118524461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).