3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

C17H18N4OS2 — CID 71802218

IUPAC3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCSc1ccccc1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C17H18N4OS2/c22-16(8-12-23-15-5-2-1-3-6-15)18-10-7-14-13-24-17(20-14)21-11-4-9-19-21/h1-6,9,11,13H,7-8,10,12H2,(H,18,22)
InChIKeyGIUPNUKXPOIAET-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.17
Rot. Bonds8

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

3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 71802218) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID71802218
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCSc1ccccc1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C17H18N4OS2/c22-16(8-12-23-15-5-2-1-3-6-15)18-10-7-14-13-24-17(20-14)21-11-4-9-19-21/h1-6,9,11,13H,7-8,10,12H2,(H,18,22)
InChIKeyGIUPNUKXPOIAET-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 71802218) is 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCSc1ccccc1)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is GIUPNUKXPOIAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c22-16(8-12-23-15-5-2-1-3-6-15)18-10-7-14-13-24-17(20-14)21-11-4-9-19-21/h1-6,9,11,13H,7-8,10,12H2,(H,18,22).
What are the key properties of 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 358.49 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 71802218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).