[6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone

C20H20ClN5OS2 — CID 56584891

IUPAC[6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(Sc2nnc(NCc3ccccc3)s2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C20H20ClN5OS2/c21-16-11-15(18(27)26-9-5-2-6-10-26)13-22-17(16)28-20-25-24-19(29-20)23-12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,23,24)
InChIKeyROLDPTDPWMFGDQ-UHFFFAOYSA-N
MW446.00 g/mol
LogP4.98
Rot. Bonds6

About [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone

[6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56584891) has the molecular formula C20H20ClN5OS2 and a molecular weight of 446.00 g/mol. Its IUPAC name is [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56584891
Molecular FormulaC20H20ClN5OS2
Molecular Weight446.00 g/mol
Exact Mass445.08
IUPAC Name[6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(Sc2nnc(NCc3ccccc3)s2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C20H20ClN5OS2/c21-16-11-15(18(27)26-9-5-2-6-10-26)13-22-17(16)28-20-25-24-19(29-20)23-12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,23,24)
InChIKeyROLDPTDPWMFGDQ-UHFFFAOYSA-N
XLogP4.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.00
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
[5-chloro-6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584932
2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-3-propylquinazolin-4-one
CID 56584528
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 35453237
[5-chloro-6-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584955
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4618133
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)acetamide
CID 4855657

Frequently Asked Questions

What is the IUPAC name of [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone (CID 56584891) is [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(Sc2nnc(NCc3ccccc3)s2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is ROLDPTDPWMFGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS2/c21-16-11-15(18(27)26-9-5-2-6-10-26)13-22-17(16)28-20-25-24-19(29-20)23-12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,23,24).
What are the key properties of [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
[6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 446.00 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56584891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).