2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

C16H15N3OS2 — CID 70887812

IUPAC2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ccccc1)NC1=NC(c2ccncc2)CS1
InChIInChI=1S/C16H15N3OS2/c20-15(11-21-13-4-2-1-3-5-13)19-16-18-14(10-22-16)12-6-8-17-9-7-12/h1-9,14H,10-11H2,(H,18,19,20)
InChIKeyNAZWMTRETOEZMU-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.13
Rot. Bonds4

About 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 70887812) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID70887812
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ccccc1)NC1=NC(c2ccncc2)CS1
InChIInChI=1S/C16H15N3OS2/c20-15(11-21-13-4-2-1-3-5-13)19-16-18-14(10-22-16)12-6-8-17-9-7-12/h1-9,14H,10-11H2,(H,18,19,20)
InChIKeyNAZWMTRETOEZMU-UHFFFAOYSA-N
XLogP3.13
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 70887812) is 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is O=C(CSc1ccccc1)NC1=NC(c2ccncc2)CS1.
What is the InChIKey of 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is NAZWMTRETOEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c20-15(11-21-13-4-2-1-3-5-13)19-16-18-14(10-22-16)12-6-8-17-9-7-12/h1-9,14H,10-11H2,(H,18,19,20).
What are the key properties of 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 329.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 70887812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).