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

C7H13N3S — CID 19029645

IUPAC5-butyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1nnc(NC)s1
InChIInChI=1S/C7H13N3S/c1-3-4-5-6-9-10-7(8-2)11-6/h3-5H2,1-2H3,(H,8,10)
InChIKeyYLABWACPJFIZQQ-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.92
Rot. Bonds4

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

5-butyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 19029645) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-butyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID19029645
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name5-butyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1nnc(NC)s1
InChIInChI=1S/C7H13N3S/c1-3-4-5-6-9-10-7(8-2)11-6/h3-5H2,1-2H3,(H,8,10)
InChIKeyYLABWACPJFIZQQ-UHFFFAOYSA-N
XLogP1.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 19029645) is 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine is CCCCc1nnc(NC)s1.
What is the InChIKey of 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YLABWACPJFIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-4-5-6-9-10-7(8-2)11-6/h3-5H2,1-2H3,(H,8,10).
What are the key properties of 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-butyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 19029645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).