2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone

C15H17NOS2 — CID 4986220

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESCC(C)(C)c1csc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C15H17NOS2/c1-15(2,3)13-10-19-14(16-13)18-9-12(17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyJEFZAWMLOYWQPC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.42
Rot. Bonds4

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone

2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone (PubChem CID 4986220) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
PubChem CID4986220
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESCC(C)(C)c1csc(SCC(=O)c2ccccc2)n1
InChIInChI=1S/C15H17NOS2/c1-15(2,3)13-10-19-14(16-13)18-9-12(17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyJEFZAWMLOYWQPC-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenylethanone
CID 3406773
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 116692221
N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
CID 33293884
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 3347675
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
dimethyl 2-[[2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 5137695
1-(4-tert-butylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52890591
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4602168
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848025
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 25284474
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 39414090

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone (CID 4986220) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone is CC(C)(C)c1csc(SCC(=O)c2ccccc2)n1.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
The InChIKey is JEFZAWMLOYWQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-15(2,3)13-10-19-14(16-13)18-9-12(17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone?
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone has a molecular weight of 291.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanone is sourced from PubChem (CID 4986220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).