2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide

C13H15N3O2S2 — CID 42281861

IUPAC2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2csc(N)n2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-18-11-4-2-9(3-5-11)15-12(17)8-19-6-10-7-20-13(14)16-10/h2-5,7H,6,8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBEZRIEWWBUDSSV-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.61
Rot. Bonds6

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

2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 42281861) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID42281861
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2csc(N)n2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-18-11-4-2-9(3-5-11)15-12(17)8-19-6-10-7-20-13(14)16-10/h2-5,7H,6,8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBEZRIEWWBUDSSV-UHFFFAOYSA-N
XLogP2.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 43617626
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
N-(4-methoxyphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 9457748
methyl 4-[[2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzoate
CID 38636250
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38629529
tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 116686654
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 38640316
N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide (CID 42281861) is 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCc2csc(N)n2)cc1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is BEZRIEWWBUDSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-18-11-4-2-9(3-5-11)15-12(17)8-19-6-10-7-20-13(14)16-10/h2-5,7H,6,8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42281861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).