N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

C7H13N3S2 — CID 4154963

IUPACN,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN(C)C)s1
InChIInChI=1S/C7H13N3S2/c1-6-8-9-7(12-6)11-5-4-10(2)3/h4-5H2,1-3H3
InChIKeyLHVIECCVAGIQNA-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.50
Rot. Bonds4

About N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 4154963) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID4154963
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SCCN(C)C)s1
InChIInChI=1S/C7H13N3S2/c1-6-8-9-7(12-6)11-5-4-10(2)3/h4-5H2,1-3H3
InChIKeyLHVIECCVAGIQNA-UHFFFAOYSA-N
XLogP1.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 4154963) is N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is Cc1nnc(SCCN(C)C)s1.
What is the InChIKey of N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is LHVIECCVAGIQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-6-8-9-7(12-6)11-5-4-10(2)3/h4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 203.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 4154963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).