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

C16H17N5OS3 — CID 8632772

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(NC(=O)CSc3nnc(N)s3)n2)cc1
InChIInChI=1S/C16H17N5OS3/c1-2-3-10-4-6-11(7-5-10)12-8-23-15(18-12)19-13(22)9-24-16-21-20-14(17)25-16/h4-8H,2-3,9H2,1H3,(H2,17,20)(H,18,19,22)
InChIKeyCOTRUABFUMYEOG-UHFFFAOYSA-N
MW391.55 g/mol
LogP3.93
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8632772) has the molecular formula C16H17N5OS3 and a molecular weight of 391.55 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID8632772
Molecular FormulaC16H17N5OS3
Molecular Weight391.55 g/mol
Exact Mass391.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCc1ccc(-c2csc(NC(=O)CSc3nnc(N)s3)n2)cc1
InChIInChI=1S/C16H17N5OS3/c1-2-3-10-4-6-11(7-5-10)12-8-23-15(18-12)19-13(22)9-24-16-21-20-14(17)25-16/h4-8H,2-3,9H2,1H3,(H2,17,20)(H,18,19,22)
InChIKeyCOTRUABFUMYEOG-UHFFFAOYSA-N
XLogP3.93
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820378
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989687
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 42965350
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30108495
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 23774938
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 30110125
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55357811
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2466930
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9272917
2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 51317373
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4659794

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 8632772) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2csc(NC(=O)CSc3nnc(N)s3)n2)cc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is COTRUABFUMYEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS3/c1-2-3-10-4-6-11(7-5-10)12-8-23-15(18-12)19-13(22)9-24-16-21-20-14(17)25-16/h4-8H,2-3,9H2,1H3,(H2,17,20)(H,18,19,22).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8632772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).