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

C14H16N2O2S2 — CID 2098654

IUPACN-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1nc(C)cs1
InChIInChI=1S/C14H16N2O2S2/c1-10-8-19-14(16-10)20-9-13(17)15-7-11-5-3-4-6-12(11)18-2/h3-6,8H,7,9H2,1-2H3,(H,15,17)
InChIKeyOBHRHSYCQAXQSJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.87
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2098654) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2098654
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1nc(C)cs1
InChIInChI=1S/C14H16N2O2S2/c1-10-8-19-14(16-10)20-9-13(17)15-7-11-5-3-4-6-12(11)18-2/h3-6,8H,7,9H2,1-2H3,(H,15,17)
InChIKeyOBHRHSYCQAXQSJ-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2098654) is N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is COc1ccccc1CNC(=O)CSc1nc(C)cs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OBHRHSYCQAXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-8-19-14(16-10)20-9-13(17)15-7-11-5-3-4-6-12(11)18-2/h3-6,8H,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2098654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).