N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C15H18N2O2S2 — CID 102978274

IUPACN-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCOCCc1ccccc1NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C15H18N2O2S2/c1-10-13(21-15(20)16-10)9-14(18)17-12-6-4-3-5-11(12)7-8-19-2/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyZUCQJCGSOJEQTR-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 102978274) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID102978274
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCOCCc1ccccc1NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C15H18N2O2S2/c1-10-13(21-15(20)16-10)9-14(18)17-12-6-4-3-5-11(12)7-8-19-2/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyZUCQJCGSOJEQTR-UHFFFAOYSA-N
XLogP3.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methylphenyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107033225
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethyl)phenyl]acetamide
CID 102905776
2-hydroxy-N-[2-(3-methoxypropyl)phenyl]acetamide
CID 70333510
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
N-[2-(2-methoxyethyl)phenyl]-2-piperidin-2-ylacetamide
CID 102906396
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 102978274) is N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is COCCc1ccccc1NC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is ZUCQJCGSOJEQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-10-13(21-15(20)16-10)9-14(18)17-12-6-4-3-5-11(12)7-8-19-2/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 322.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 102978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).