5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H22N4S2 — CID 64610056

IUPAC5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCC(N)C(CC)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-5-7-8(12)9(6-2)16-11-14-13-10(17-11)15(3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyDBNCUXCCTVYLGJ-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.60
Rot. Bonds7

About 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64610056) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64610056
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC Name5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCC(N)C(CC)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-5-7-8(12)9(6-2)16-11-14-13-10(17-11)15(3)4/h8-9H,5-7,12H2,1-4H3
InChIKeyDBNCUXCCTVYLGJ-UHFFFAOYSA-N
XLogP2.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64610056) is 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCC(N)C(CC)Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DBNCUXCCTVYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-5-7-8(12)9(6-2)16-11-14-13-10(17-11)15(3)4/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 274.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64610056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).