2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide

C25H29N5O2S2 — CID 4966431

IUPAC2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CSc1nn(Cc2ccccc2)/c(=N/Cc2ccccc2)s1)NC(=O)NC1CCCCC1
InChIInChI=1S/C25H29N5O2S2/c31-22(28-23(32)27-21-14-8-3-9-15-21)18-33-25-29-30(17-20-12-6-2-7-13-20)24(34-25)26-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21H,3,8-9,14-18H2,(H2,27,28,31,32)/b26-24-
InChIKeyCFUVCELYMWVDJN-LCUIJRPUSA-N
MW495.67 g/mol
LogP4.34
Rot. Bonds8

About 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide

2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 4966431) has the molecular formula C25H29N5O2S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
PubChem CID4966431
Molecular FormulaC25H29N5O2S2
Molecular Weight495.67 g/mol
Exact Mass495.18
IUPAC Name2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CSc1nn(Cc2ccccc2)/c(=N/Cc2ccccc2)s1)NC(=O)NC1CCCCC1
InChIInChI=1S/C25H29N5O2S2/c31-22(28-23(32)27-21-14-8-3-9-15-21)18-33-25-29-30(17-20-12-6-2-7-13-20)24(34-25)26-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21H,3,8-9,14-18H2,(H2,27,28,31,32)/b26-24-
InChIKeyCFUVCELYMWVDJN-LCUIJRPUSA-N
XLogP4.34
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide with MolForge

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Related Compounds

2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-benzylacetamide
CID 1265641
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 3511427
1-Benzhydryl-3-(4,5-dihydrothiazol-2-yl)urea
CID 2356372
N-(cyclohexylcarbamoyl)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27068132
2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-(diphenylmethyl)acetamide
CID 135509368
3-[5-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 88985977
N-benzyl-2-[[2-(dicyclohexylcarbamoylamino)-4,5-dihydro-1,3-thiazol-5-yl]sulfanyl]acetamide
CID 88998086
N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 1409103
2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 1517684
2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 1517685
2-[[(1R,5S)-7-(2-amino-2-oxoethyl)sulfanyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 1904888
2-[[(1R,5R)-7-(2-amino-2-oxoethyl)sulfanyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 1904889

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide (CID 4966431) is 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide is O=C(CSc1nn(Cc2ccccc2)/c(=N/Cc2ccccc2)s1)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is CFUVCELYMWVDJN-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H29N5O2S2/c31-22(28-23(32)27-21-14-8-3-9-15-21)18-33-25-29-30(17-20-12-6-2-7-13-20)24(34-25)26-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21H,3,8-9,14-18H2,(H2,27,28,31,32)/b26-24-.
What are the key properties of 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide?
2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 495.67 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 4966431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).