N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

C19H18N6O2S3 — CID 22971220

IUPACN-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)Cc3csc(-c4cnccn4)n3)s2)o1
InChIInChI=1S/C19H18N6O2S3/c1-3-13-7-22-17(27-13)11(2)29-16-9-23-19(30-16)25-15(26)6-12-10-28-18(24-12)14-8-20-4-5-21-14/h4-5,7-11H,3,6H2,1-2H3,(H,23,25,26)
InChIKeyJQGGOWCKTZANIE-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.64
Rot. Bonds8

About N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 22971220) has the molecular formula C19H18N6O2S3 and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID22971220
Molecular FormulaC19H18N6O2S3
Molecular Weight458.59 g/mol
Exact Mass458.07
IUPAC NameN-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)Cc3csc(-c4cnccn4)n3)s2)o1
InChIInChI=1S/C19H18N6O2S3/c1-3-13-7-22-17(27-13)11(2)29-16-9-23-19(30-16)25-15(26)6-12-10-28-18(24-12)14-8-20-4-5-21-14/h4-5,7-11H,3,6H2,1-2H3,(H,23,25,26)
InChIKeyJQGGOWCKTZANIE-UHFFFAOYSA-N
XLogP4.64
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (CID 22971220) is N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is CCc1cnc(C(C)Sc2cnc(NC(=O)Cc3csc(-c4cnccn4)n3)s2)o1.
What is the InChIKey of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JQGGOWCKTZANIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S3/c1-3-13-7-22-17(27-13)11(2)29-16-9-23-19(30-16)25-15(26)6-12-10-28-18(24-12)14-8-20-4-5-21-14/h4-5,7-11H,3,6H2,1-2H3,(H,23,25,26).
What are the key properties of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 458.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 22971220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).