5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C8H15N3S — CID 23383491

IUPAC5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1nnc(N(C)C)s1
InChIInChI=1S/C8H15N3S/c1-4-5-6-7-9-10-8(12-7)11(2)3/h4-6H2,1-3H3
InChIKeyDEWQTUDMMPGTIG-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.95
Rot. Bonds4

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

5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 23383491) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID23383491
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1nnc(N(C)C)s1
InChIInChI=1S/C8H15N3S/c1-4-5-6-7-9-10-8(12-7)11(2)3/h4-6H2,1-3H3
InChIKeyDEWQTUDMMPGTIG-UHFFFAOYSA-N
XLogP1.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 23383491) is 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCCc1nnc(N(C)C)s1.
What is the InChIKey of 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DEWQTUDMMPGTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-5-6-7-9-10-8(12-7)11(2)3/h4-6H2,1-3H3.
What are the key properties of 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23383491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).