2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide

C12H11N3O2S2 — CID 17386383

IUPAC2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(NC(=S)C(=O)Nc2nccs2)c1
InChIInChI=1S/C12H11N3O2S2/c1-17-9-4-2-3-8(7-9)14-11(18)10(16)15-12-13-5-6-19-12/h2-7H,1H3,(H,14,18)(H,13,15,16)
InChIKeyAVCRAPKXHOTRHF-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.53
Rot. Bonds3

About 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide

2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 17386383) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
PubChem CID17386383
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(NC(=S)C(=O)Nc2nccs2)c1
InChIInChI=1S/C12H11N3O2S2/c1-17-9-4-2-3-8(7-9)14-11(18)10(16)15-12-13-5-6-19-12/h2-7H,1H3,(H,14,18)(H,13,15,16)
InChIKeyAVCRAPKXHOTRHF-UHFFFAOYSA-N
XLogP2.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-(3-methoxyanilino)-2-sulfanylideneacetamide
CID 17386382
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16898920
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
CID 3432292
(2R)-2-[[5-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 41111041
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 8000996
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
3-amino-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 61090375
1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 47089378

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide (CID 17386383) is 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide is COc1cccc(NC(=S)C(=O)Nc2nccs2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AVCRAPKXHOTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-17-9-4-2-3-8(7-9)14-11(18)10(16)15-12-13-5-6-19-12/h2-7H,1H3,(H,14,18)(H,13,15,16).
What are the key properties of 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide?
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 17386383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).