[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

C16H26N4OS2 — CID 163357830

IUPAC[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)c1nnc(N2CCC(C(=O)N3CCSCC3)CC2)s1
InChIInChI=1S/C16H26N4OS2/c1-16(2,3)14-17-18-15(23-14)20-6-4-12(5-7-20)13(21)19-8-10-22-11-9-19/h12H,4-11H2,1-3H3
InChIKeyTYDHNWZDAPNBCT-UHFFFAOYSA-N
MW354.55 g/mol
LogP2.63
Rot. Bonds2

About [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163357830) has the molecular formula C16H26N4OS2 and a molecular weight of 354.55 g/mol. Its IUPAC name is [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID163357830
Molecular FormulaC16H26N4OS2
Molecular Weight354.55 g/mol
Exact Mass354.15
IUPAC Name[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)c1nnc(N2CCC(C(=O)N3CCSCC3)CC2)s1
InChIInChI=1S/C16H26N4OS2/c1-16(2,3)14-17-18-15(23-14)20-6-4-12(5-7-20)13(21)19-8-10-22-11-9-19/h12H,4-11H2,1-3H3
InChIKeyTYDHNWZDAPNBCT-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 133366067
[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 163352782
1-[4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405310
tert-butyl 4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 156836449
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
tert-butyl N-[(3R)-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]carbamate
CID 133383826
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 155503336
[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155975921
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227

Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 163357830) is [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is CC(C)(C)c1nnc(N2CCC(C(=O)N3CCSCC3)CC2)s1.
What is the InChIKey of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is TYDHNWZDAPNBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS2/c1-16(2,3)14-17-18-15(23-14)20-6-4-12(5-7-20)13(21)19-8-10-22-11-9-19/h12H,4-11H2,1-3H3.
What are the key properties of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 354.55 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163357830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).