4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine

C7H10ClN3OS — CID 43808294

IUPAC4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nsnc1Cl
InChIInChI=1S/C7H10ClN3OS/c1-5-4-12-3-2-11(5)7-6(8)9-13-10-7/h5H,2-4H2,1H3
InChIKeyPDEWDODJJSFMEH-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.42
Rot. Bonds1

About 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine

4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine (PubChem CID 43808294) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
PubChem CID43808294
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nsnc1Cl
InChIInChI=1S/C7H10ClN3OS/c1-5-4-12-3-2-11(5)7-6(8)9-13-10-7/h5H,2-4H2,1H3
InChIKeyPDEWDODJJSFMEH-UHFFFAOYSA-N
XLogP1.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophthalazin-1-yl)-3-methylmorpholine
CID 62141543
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 72570064
(3R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 164581492
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylmorpholine
CID 79727473
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662
4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine
CID 62102340
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
3,5-dichloro-N-methyl-6-(3-methylmorpholin-4-yl)pyridin-2-amine
CID 102756106
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
(3S)-4-(2-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829517

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine?
The IUPAC name of 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine (CID 43808294) is 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine?
The canonical SMILES for 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine is CC1COCCN1c1nsnc1Cl.
What is the InChIKey of 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine?
The InChIKey is PDEWDODJJSFMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-5-4-12-3-2-11(5)7-6(8)9-13-10-7/h5H,2-4H2,1H3.
What are the key properties of 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine?
4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine has a molecular weight of 219.70 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine is sourced from PubChem (CID 43808294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).