2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

C15H18N2OS2 — CID 9267147

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1csc(SCC(=O)N(c2ccccc2)C(C)C)n1
InChIInChI=1S/C15H18N2OS2/c1-11(2)17(13-7-5-4-6-8-13)14(18)10-20-15-16-12(3)9-19-15/h4-9,11H,10H2,1-3H3
InChIKeyAUSZJGCCAQSTFN-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.99
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 9267147) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID9267147
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1csc(SCC(=O)N(c2ccccc2)C(C)C)n1
InChIInChI=1S/C15H18N2OS2/c1-11(2)17(13-7-5-4-6-8-13)14(18)10-20-15-16-12(3)9-19-15/h4-9,11H,10H2,1-3H3
InChIKeyAUSZJGCCAQSTFN-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
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-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (CID 9267147) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is Cc1csc(SCC(=O)N(c2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is AUSZJGCCAQSTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-11(2)17(13-7-5-4-6-8-13)14(18)10-20-15-16-12(3)9-19-15/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 306.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 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-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 9267147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).