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

C15H24N4O2S2 — CID 163352782

IUPAC[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)c1nnc(N2CCOC(C(=O)N3CCSCC3)C2)s1
InChIInChI=1S/C15H24N4O2S2/c1-15(2,3)13-16-17-14(23-13)19-4-7-21-11(10-19)12(20)18-5-8-22-9-6-18/h11H,4-10H2,1-3H3
InChIKeyYOLQOWKBKXXBJQ-UHFFFAOYSA-N
MW356.52 g/mol
LogP1.62
Rot. Bonds2

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

[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163352782) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID163352782
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC Name[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)c1nnc(N2CCOC(C(=O)N3CCSCC3)C2)s1
InChIInChI=1S/C15H24N4O2S2/c1-15(2,3)13-16-17-14(23-13)19-4-7-21-11(10-19)12(20)18-5-8-22-9-6-18/h11H,4-10H2,1-3H3
InChIKeyYOLQOWKBKXXBJQ-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357830
[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154580734
4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 154583149
[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 155800091
(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
CID 163346299
2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163343816
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 133366067
[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154581086
[4-(1,3,4-oxadiazol-2-ylmethyl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078304
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981539
2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole
CID 133365940
tert-butyl N-[(3R)-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]carbamate
CID 133383826

Frequently Asked Questions

What is the IUPAC name of [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 163352782) is [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is CC(C)(C)c1nnc(N2CCOC(C(=O)N3CCSCC3)C2)s1.
What is the InChIKey of [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is YOLQOWKBKXXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c1-15(2,3)13-16-17-14(23-13)19-4-7-21-11(10-19)12(20)18-5-8-22-9-6-18/h11H,4-10H2,1-3H3.
What are the key properties of [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 356.52 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163352782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).