5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H18N4OS2 — CID 107511194

IUPAC5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNC(COC)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-10-7(5-14-4)6-15-9-12-11-8(16-9)13(2)3/h7,10H,5-6H2,1-4H3
InChIKeySESFDKCTSLIVSJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.93
Rot. Bonds7

About 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107511194) has the molecular formula C9H18N4OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID107511194
Molecular FormulaC9H18N4OS2
Molecular Weight262.40 g/mol
Exact Mass262.09
IUPAC Name5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNC(COC)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-10-7(5-14-4)6-15-9-12-11-8(16-9)13(2)3/h7,10H,5-6H2,1-4H3
InChIKeySESFDKCTSLIVSJ-UHFFFAOYSA-N
XLogP0.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 107511194) is 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CNC(COC)CSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SESFDKCTSLIVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS2/c1-10-7(5-14-4)6-15-9-12-11-8(16-9)13(2)3/h7,10H,5-6H2,1-4H3.
What are the key properties of 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 262.40 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-2-(methylamino)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107511194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).