N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine

C7H13N3S2 — CID 1475899

IUPACN,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine
SMILESCc1nnsc1SCCN(C)C
InChIInChI=1S/C7H13N3S2/c1-6-7(12-9-8-6)11-5-4-10(2)3/h4-5H2,1-3H3
InChIKeyHCLMXKMWIOAYBS-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.50
Rot. Bonds4

About N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine

N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine (PubChem CID 1475899) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine
PubChem CID1475899
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine
SMILESCc1nnsc1SCCN(C)C
InChIInChI=1S/C7H13N3S2/c1-6-7(12-9-8-6)11-5-4-10(2)3/h4-5H2,1-3H3
InChIKeyHCLMXKMWIOAYBS-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-(4-methylthiadiazol-5-yl)sulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine (CID 1475899) is N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine is Cc1nnsc1SCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine?
The InChIKey is HCLMXKMWIOAYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-6-7(12-9-8-6)11-5-4-10(2)3/h4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine?
N,N-dimethyl-2-(4-methylthiadiazol-5-yl)sulfanylethanamine 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-(4-methylthiadiazol-5-yl)sulfanylethanamine is sourced from PubChem (CID 1475899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).