3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine

C10H15N3O2S2 — CID 65271625

IUPAC3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(Nc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C10H15N3O2S2/c14-17(15)5-3-8(4-6-17)11-10-12-9(13-16-10)7-1-2-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyRDRQDDCKQJJZRH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.40
Rot. Bonds3

About 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271625) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65271625
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(Nc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C10H15N3O2S2/c14-17(15)5-3-8(4-6-17)11-10-12-9(13-16-10)7-1-2-7/h7-8H,1-6H2,(H,11,12,13)
InChIKeyRDRQDDCKQJJZRH-UHFFFAOYSA-N
XLogP1.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858346
N-[(8S)-5,5-dioxo-5lambda6-thiaspiro[3.5]nonan-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 164629461
3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164635320
N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304731
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304964
N-(1,1-dioxothian-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267447
N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268232
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268321
N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268370
N-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268779
3-ethyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65270902
N-(2-methylsulfonylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271058

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine (CID 65271625) is 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine is O=S1(=O)CCC(Nc2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RDRQDDCKQJJZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c14-17(15)5-3-8(4-6-17)11-10-12-9(13-16-10)7-1-2-7/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 273.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).