3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine

C11H14N4OS2 — CID 86802458

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCc1csc(C2COCCN2Cc2csnn2)n1
InChIInChI=1S/C11H14N4OS2/c1-8-6-17-11(12-8)10-5-16-3-2-15(10)4-9-7-18-14-13-9/h6-7,10H,2-5H2,1H3
InChIKeySSAVQWQLOIWEBT-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.88
Rot. Bonds3

About 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine

3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine (PubChem CID 86802458) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
PubChem CID86802458
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCc1csc(C2COCCN2Cc2csnn2)n1
InChIInChI=1S/C11H14N4OS2/c1-8-6-17-11(12-8)10-5-16-3-2-15(10)4-9-7-18-14-13-9/h6-7,10H,2-5H2,1H3
InChIKeySSAVQWQLOIWEBT-UHFFFAOYSA-N
XLogP1.88
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine (CID 86802458) is 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine is Cc1csc(C2COCCN2Cc2csnn2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
The InChIKey is SSAVQWQLOIWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-8-6-17-11(12-8)10-5-16-3-2-15(10)4-9-7-18-14-13-9/h6-7,10H,2-5H2,1H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine?
3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine has a molecular weight of 282.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 86802458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).