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

C18H24N4OS2 — CID 4878495

IUPACN-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC1CCCCC1Nc1nnc(SCC(=O)NCc2ccccc2)s1
InChIInChI=1S/C18H24N4OS2/c1-13-7-5-6-10-15(13)20-17-21-22-18(25-17)24-12-16(23)19-11-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyPTJUBCGQXGUQBK-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.94
Rot. Bonds7

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

N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 4878495) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID4878495
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC NameN-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC1CCCCC1Nc1nnc(SCC(=O)NCc2ccccc2)s1
InChIInChI=1S/C18H24N4OS2/c1-13-7-5-6-10-15(13)20-17-21-22-18(25-17)24-12-16(23)19-11-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyPTJUBCGQXGUQBK-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 6483839
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 27918639
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 37135758
N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 2294800
2-[[5-[(2,3-dimethylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 43148523
methyl 4-[[[2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate
CID 8674451
(Z)-N-benzyl-2-cyano-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-hydroxybut-2-enamide
CID 54680624
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2608166
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2696034
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2696032
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 4286808
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11934468

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 4878495) is N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC1CCCCC1Nc1nnc(SCC(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PTJUBCGQXGUQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-13-7-5-6-10-15(13)20-17-21-22-18(25-17)24-12-16(23)19-11-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 376.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4878495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).