2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide

C17H22N4OS2 — CID 35160894

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCCNc1nnc(SCC(=O)NCC2(c3ccccc3)CCC2)s1
InChIInChI=1S/C17H22N4OS2/c1-2-18-15-20-21-16(24-15)23-11-14(22)19-12-17(9-6-10-17)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,20)(H,19,22)
InChIKeyLMXSLNCNIXJBEA-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.30
Rot. Bonds8

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 35160894) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID35160894
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCCNc1nnc(SCC(=O)NCC2(c3ccccc3)CCC2)s1
InChIInChI=1S/C17H22N4OS2/c1-2-18-15-20-21-16(24-15)23-11-14(22)19-12-17(9-6-10-17)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,20)(H,19,22)
InChIKeyLMXSLNCNIXJBEA-UHFFFAOYSA-N
XLogP3.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35453123
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 55525095
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55847075
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30422085
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 47057306
N-(1,2-diphenylethyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18092540
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 27987722
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379606
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379605
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 35493834

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 35160894) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide is CCNc1nnc(SCC(=O)NCC2(c3ccccc3)CCC2)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is LMXSLNCNIXJBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS2/c1-2-18-15-20-21-16(24-15)23-11-14(22)19-12-17(9-6-10-17)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 362.52 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 35160894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).