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

C18H17N3O2S2 — CID 18894483

IUPAC2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(NC(=O)CSc3cccc(N)c3)n2)c1
InChIInChI=1S/C18H17N3O2S2/c1-23-14-6-2-4-12(8-14)16-10-25-18(20-16)21-17(22)11-24-15-7-3-5-13(19)9-15/h2-10H,11,19H2,1H3,(H,20,21,22)
InChIKeyRNELSLXWERERDJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.13
Rot. Bonds6

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

2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 18894483) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID18894483
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(NC(=O)CSc3cccc(N)c3)n2)c1
InChIInChI=1S/C18H17N3O2S2/c1-23-14-6-2-4-12(8-14)16-10-25-18(20-16)21-17(22)11-24-15-7-3-5-13(19)9-15/h2-10H,11,19H2,1H3,(H,20,21,22)
InChIKeyRNELSLXWERERDJ-UHFFFAOYSA-N
XLogP4.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide
CID 18899377
3,4-dimethoxy-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899449
6-[[4-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19713149
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586091
N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18900240
N-[3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18899657
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235
N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18899520
4-methoxy-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899667
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
N-[(Z)-3-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 19303754

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 18894483) is 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1cccc(-c2csc(NC(=O)CSc3cccc(N)c3)n2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RNELSLXWERERDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-23-14-6-2-4-12(8-14)16-10-25-18(20-16)21-17(22)11-24-15-7-3-5-13(19)9-15/h2-10H,11,19H2,1H3,(H,20,21,22).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18894483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).