2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

C14H16N2OS2 — CID 4803987

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCc1csc(SCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C14H16N2OS2/c1-10-8-18-14(15-10)19-9-13(17)16-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,16,17)
InChIKeyPAVOPLAZSHJCCM-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.42
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 4803987) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID4803987
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCc1csc(SCC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C14H16N2OS2/c1-10-8-18-14(15-10)19-9-13(17)16-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,16,17)
InChIKeyPAVOPLAZSHJCCM-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 4803987) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is Cc1csc(SCC(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is PAVOPLAZSHJCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-8-18-14(15-10)19-9-13(17)16-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4803987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).