2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C15H19N5OS2 — CID 17394081

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C15H19N5OS2/c1-10-8-11(20-6-2-3-7-20)4-5-12(10)17-13(21)9-22-15-19-18-14(16)23-15/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,18)(H,17,21)
InChIKeyBIWWSRBFORDSQX-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.76
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 17394081) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID17394081
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C15H19N5OS2/c1-10-8-11(20-6-2-3-7-20)4-5-12(10)17-13(21)9-22-15-19-18-14(16)23-15/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,18)(H,17,21)
InChIKeyBIWWSRBFORDSQX-UHFFFAOYSA-N
XLogP2.76
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 2706598
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3574156
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 41404093
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7894523
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
N-(4-iodo-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2210749
2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
CID 49365274
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 51579867

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 17394081) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BIWWSRBFORDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c1-10-8-11(20-6-2-3-7-20)4-5-12(10)17-13(21)9-22-15-19-18-14(16)23-15/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 349.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 17394081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).