[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone

C14H15N3O2S2 — CID 45492013

IUPAC[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-19-11-4-2-10(3-5-11)12-13(21-16-15-12)14(18)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyYVMJDWSQYODFJU-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.40
Rot. Bonds3

About [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone

[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone (PubChem CID 45492013) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
PubChem CID45492013
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-19-11-4-2-10(3-5-11)12-13(21-16-15-12)14(18)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyYVMJDWSQYODFJU-UHFFFAOYSA-N
XLogP2.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 100751023
[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
CID 100751028
[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 100748246
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
CID 100747382
[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100774869
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 51048790
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone
CID 133159084
4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide
CID 100775104
1'-[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]-5-methylspiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 133066870

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone (CID 45492013) is [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone is COc1ccc(-c2nnsc2C(=O)N2CCSCC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is YVMJDWSQYODFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-19-11-4-2-10(3-5-11)12-13(21-16-15-12)14(18)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone?
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 321.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 45492013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).