N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C19H27N5OS2 — CID 16565177

IUPACN-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C19H27N5OS2/c1-14(2)20-18-22-23-19(27-18)26-13-17(25)21-16-8-10-24(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyUJAMDVJQIVNCJT-UHFFFAOYSA-N
MW405.59 g/mol
LogP3.23
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 16565177) has the molecular formula C19H27N5OS2 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID16565177
Molecular FormulaC19H27N5OS2
Molecular Weight405.59 g/mol
Exact Mass405.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C19H27N5OS2/c1-14(2)20-18-22-23-19(27-18)26-13-17(25)21-16-8-10-24(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyUJAMDVJQIVNCJT-UHFFFAOYSA-N
XLogP3.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18202307
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CID 7191169
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
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N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571
N-(3-phenylpropyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501953
N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
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CID 9204401
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
N-benzyl-N-tert-butyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501628
N-(1-benzylpiperidin-4-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 167761111
N-(1-ethylpiperidin-4-yl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41377904
N-propan-2-yl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 16565177) is N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)Nc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UJAMDVJQIVNCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS2/c1-14(2)20-18-22-23-19(27-18)26-13-17(25)21-16-8-10-24(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,22)(H,21,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 405.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16565177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).