3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine

C10H14FN3OS — CID 126856253

IUPAC3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C2CC2)ns1)[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H14FN3OS/c1-14(8-5-15-4-7(8)11)10-12-9(13-16-10)6-2-3-6/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyCTHUKUHTHQQSPM-HTQZYQBOSA-N
MW243.31 g/mol
LogP1.59
Rot. Bonds3

About 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 126856253) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID126856253
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C2CC2)ns1)[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H14FN3OS/c1-14(8-5-15-4-7(8)11)10-12-9(13-16-10)6-2-3-6/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyCTHUKUHTHQQSPM-HTQZYQBOSA-N
XLogP1.59
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 126856194
3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 126856331
N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126857881
N-cyclobutyl-N-(4-fluorooxolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 126857898
5-[3-(Fluoromethyl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 171326453
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 71861559
3-Cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 75506049
3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 80713865
N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 80713985
3-cyclopropyl-N-(2-methyloxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 82729163
N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 86794328

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 126856253) is 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine is CN(c1nc(C2CC2)ns1)[C@@H]1COC[C@H]1F.
What is the InChIKey of 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CTHUKUHTHQQSPM-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-14(8-5-15-4-7(8)11)10-12-9(13-16-10)6-2-3-6/h6-8H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126856253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).