N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H21N5O2S3 — CID 30108495

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)CSc3nnc(NCCOC)s3)n2)cc1
InChIInChI=1S/C18H21N5O2S3/c1-3-12-4-6-13(7-5-12)14-10-26-17(20-14)21-15(24)11-27-18-23-22-16(28-18)19-8-9-25-2/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,22)(H,20,21,24)
InChIKeyWAGRCAVISUJRNA-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.01
Rot. Bonds10

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 30108495) has the molecular formula C18H21N5O2S3 and a molecular weight of 435.60 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID30108495
Molecular FormulaC18H21N5O2S3
Molecular Weight435.60 g/mol
Exact Mass435.09
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)CSc3nnc(NCCOC)s3)n2)cc1
InChIInChI=1S/C18H21N5O2S3/c1-3-12-4-6-13(7-5-12)14-10-26-17(20-14)21-15(24)11-27-18-23-22-16(28-18)19-8-9-25-2/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,22)(H,20,21,24)
InChIKeyWAGRCAVISUJRNA-UHFFFAOYSA-N
XLogP4.01
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2466930
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989687
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8632772
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820378
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9272917
N-(4-acetylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969830
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142
N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969674
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7797192
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24652881

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 30108495) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCc1ccc(-c2csc(NC(=O)CSc3nnc(NCCOC)s3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WAGRCAVISUJRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S3/c1-3-12-4-6-13(7-5-12)14-10-26-17(20-14)21-15(24)11-27-18-23-22-16(28-18)19-8-9-25-2/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,22)(H,20,21,24).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 435.60 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 30108495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).