4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine

C9H13N3S2 — CID 71925335

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESC1CN(c2nc(C3CC3)ns2)CCS1
InChIInChI=1S/C9H13N3S2/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2
InChIKeyRBJPYEYIJAAFQD-UHFFFAOYSA-N
MW227.36 g/mol
LogP1.97
Rot. Bonds2

About 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 71925335) has the molecular formula C9H13N3S2 and a molecular weight of 227.36 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID71925335
Molecular FormulaC9H13N3S2
Molecular Weight227.36 g/mol
Exact Mass227.06
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESC1CN(c2nc(C3CC3)ns2)CCS1
InChIInChI=1S/C9H13N3S2/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2
InChIKeyRBJPYEYIJAAFQD-UHFFFAOYSA-N
XLogP1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858346
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858349
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 71866341
2,2-Dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71854939
4-(3-Ethyl-1,2,4-thiadiazol-5-YL)thiomorpholine
CID 71925334
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropiperidine
CID 126776536
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
3-cyclopropyl-5-[(3S)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349569
2,3-Dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-YL)thiomorpholine
CID 71871068
4-(3-Methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 58792113
3-Cyclopropyl-5-piperidin-1-yl-1,2,4-thiadiazole
CID 127417883
3-cyclopropyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 71913148

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 71925335) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine is C1CN(c2nc(C3CC3)ns2)CCS1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is RBJPYEYIJAAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S2/c1-2-7(1)8-10-9(14-11-8)12-3-5-13-6-4-12/h7H,1-6H2.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 227.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 71925335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).