2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide

C22H24N4OS2 — CID 46666473

IUPAC2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(Sc1nnc(NC2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C22H24N4OS2/c27-20(23-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)28-22-26-25-21(29-22)24-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2,(H,23,27)(H,24,25)
InChIKeyKHANJMGBYQSTOR-UHFFFAOYSA-N
MW424.60 g/mol
LogP5.75
Rot. Bonds7

About 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide (PubChem CID 46666473) has the molecular formula C22H24N4OS2 and a molecular weight of 424.60 g/mol. Its IUPAC name is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide
PubChem CID46666473
Molecular FormulaC22H24N4OS2
Molecular Weight424.60 g/mol
Exact Mass424.14
IUPAC Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(Sc1nnc(NC2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C22H24N4OS2/c27-20(23-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)28-22-26-25-21(29-22)24-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2,(H,23,27)(H,24,25)
InChIKeyKHANJMGBYQSTOR-UHFFFAOYSA-N
XLogP5.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.60
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide
CID 8674567
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7971313
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557252
(2R)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2079068
N-cyclopropyl-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17468752
(2S)-N-cyclopropyl-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8603173
(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylpropanamide
CID 2648064
N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 30079274
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 8674591
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
CID 51280082
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 8674662
N-(1,3-benzodioxol-5-yl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 4264328

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide?
The IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide (CID 46666473) is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide is O=C(Nc1ccccc1)C(Sc1nnc(NC2CCCCC2)s1)c1ccccc1.
What is the InChIKey of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide?
The InChIKey is KHANJMGBYQSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS2/c27-20(23-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)28-22-26-25-21(29-22)24-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2,(H,23,27)(H,24,25).
What are the key properties of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide?
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide has a molecular weight of 424.60 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide is sourced from PubChem (CID 46666473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).