N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine

C9H16N4S2 — CID 62176296

IUPACN-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCSCC1
InChIInChI=1S/C9H16N4S2/c1-2-10-9-8(11-12-15-9)7-13-3-5-14-6-4-13/h10H,2-7H2,1H3
InChIKeyMWYVAQXRIPSXBF-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.52
Rot. Bonds4

About N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine

N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine (PubChem CID 62176296) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
PubChem CID62176296
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC NameN-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCSCC1
InChIInChI=1S/C9H16N4S2/c1-2-10-9-8(11-12-15-9)7-13-3-5-14-6-4-13/h10H,2-7H2,1H3
InChIKeyMWYVAQXRIPSXBF-UHFFFAOYSA-N
XLogP1.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine (CID 62176296) is N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine is CCNc1snnc1CN1CCSCC1.
What is the InChIKey of N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The InChIKey is MWYVAQXRIPSXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-2-10-9-8(11-12-15-9)7-13-3-5-14-6-4-13/h10H,2-7H2,1H3.
What are the key properties of N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine has a molecular weight of 244.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62176296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).