N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine

C8H14N4S2 — CID 63738018

IUPACN,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC2CCNC2)s1
InChIInChI=1S/C8H14N4S2/c1-12(2)7-10-11-8(14-7)13-6-3-4-9-5-6/h6,9H,3-5H2,1-2H3
InChIKeyIQVHVUAZYILLDR-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.06
Rot. Bonds3

About N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738018) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID63738018
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC NameN,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC2CCNC2)s1
InChIInChI=1S/C8H14N4S2/c1-12(2)7-10-11-8(14-7)13-6-3-4-9-5-6/h6,9H,3-5H2,1-2H3
InChIKeyIQVHVUAZYILLDR-UHFFFAOYSA-N
XLogP1.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine (CID 63738018) is N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SC2CCNC2)s1.
What is the InChIKey of N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IQVHVUAZYILLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-12(2)7-10-11-8(14-7)13-6-3-4-9-5-6/h6,9H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 230.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).