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

C14H14N4OS2 — CID 71802200

IUPACN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C14H14N4OS2/c19-13(9-12-3-1-8-20-12)15-6-4-11-10-21-14(17-11)18-7-2-5-16-18/h1-3,5,7-8,10H,4,6,9H2,(H,15,19)
InChIKeyDNQRJTHADFXMNX-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.29
Rot. Bonds6

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

N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 71802200) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID71802200
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C14H14N4OS2/c19-13(9-12-3-1-8-20-12)15-6-4-11-10-21-14(17-11)18-7-2-5-16-18/h1-3,5,7-8,10H,4,6,9H2,(H,15,19)
InChIKeyDNQRJTHADFXMNX-UHFFFAOYSA-N
XLogP2.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide (CID 71802200) is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is DNQRJTHADFXMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c19-13(9-12-3-1-8-20-12)15-6-4-11-10-21-14(17-11)18-7-2-5-16-18/h1-3,5,7-8,10H,4,6,9H2,(H,15,19).
What are the key properties of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 318.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71802200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).