N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C19H26N4O2S2 — CID 7863680

IUPACN-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1)C1CCCCC1
InChIInChI=1S/C19H26N4O2S2/c1-3-23(15-7-5-4-6-8-15)17(24)13-26-19-22-21-18(27-19)20-14-9-11-16(25-2)12-10-14/h9-12,15H,3-8,13H2,1-2H3,(H,20,21)
InChIKeyPAMWPGVQFHRKPX-UHFFFAOYSA-N
MW406.58 g/mol
LogP4.56
Rot. Bonds8

About N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7863680) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID7863680
Molecular FormulaC19H26N4O2S2
Molecular Weight406.58 g/mol
Exact Mass406.15
IUPAC NameN-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1)C1CCCCC1
InChIInChI=1S/C19H26N4O2S2/c1-3-23(15-7-5-4-6-8-15)17(24)13-26-19-22-21-18(27-19)20-14-9-11-16(25-2)12-10-14/h9-12,15H,3-8,13H2,1-2H3,(H,20,21)
InChIKeyPAMWPGVQFHRKPX-UHFFFAOYSA-N
XLogP4.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2643647
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 2617372
N-cyclohexyl-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51303451
N-cyclohexyl-N-ethyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27067667
1-(4-ethoxyphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 4805146
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7378324
N-cyclopropyl-2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 39529164
1-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 9221380
N-butyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2617357
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2659146
N-[4-(dimethylamino)phenyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3312497
N-cyclopropyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37283614

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 7863680) is N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCN(C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PAMWPGVQFHRKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c1-3-23(15-7-5-4-6-8-15)17(24)13-26-19-22-21-18(27-19)20-14-9-11-16(25-2)12-10-14/h9-12,15H,3-8,13H2,1-2H3,(H,20,21).
What are the key properties of N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 406.58 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7863680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).