2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C15H18N2OS2 — CID 47144634

IUPAC2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)SCc2ccccc2)sc1C
InChIInChI=1S/C15H18N2OS2/c1-10-11(2)20-15(16-10)17-14(18)12(3)19-9-13-7-5-4-6-8-13/h4-8,12H,9H2,1-3H3,(H,16,17,18)
InChIKeyPTJUBTOYRWZSJF-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.02
Rot. Bonds5

About 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 47144634) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID47144634
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)SCc2ccccc2)sc1C
InChIInChI=1S/C15H18N2OS2/c1-10-11(2)20-15(16-10)17-14(18)12(3)19-9-13-7-5-4-6-8-13/h4-8,12H,9H2,1-3H3,(H,16,17,18)
InChIKeyPTJUBTOYRWZSJF-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-benzylsulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100504993
(2R)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 40990824
(2R)-2-benzylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 51958104
ethyl 2-[2-(2-benzylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23886497
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
2-(4-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 24647862
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42345603
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 47144634) is 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)SCc2ccccc2)sc1C.
What is the InChIKey of 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is PTJUBTOYRWZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10-11(2)20-15(16-10)17-14(18)12(3)19-9-13-7-5-4-6-8-13/h4-8,12H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 306.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47144634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).