(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine

C7H13N3S — CID 64982687

IUPAC(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCC(C)(C)c1nnc(CN)s1
InChIInChI=1S/C7H13N3S/c1-7(2,3)6-10-9-5(4-8)11-6/h4,8H2,1-3H3
InChIKeyHKLPSVWLVHARLA-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.29
Rot. Bonds1

About (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine

(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine (PubChem CID 64982687) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine
PubChem CID64982687
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCC(C)(C)c1nnc(CN)s1
InChIInChI=1S/C7H13N3S/c1-7(2,3)6-10-9-5(4-8)11-6/h4,8H2,1-3H3
InChIKeyHKLPSVWLVHARLA-UHFFFAOYSA-N
XLogP1.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine?
The IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine (CID 64982687) is (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine is CC(C)(C)c1nnc(CN)s1.
What is the InChIKey of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine?
The InChIKey is HKLPSVWLVHARLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-7(2,3)6-10-9-5(4-8)11-6/h4,8H2,1-3H3.
What are the key properties of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine?
(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine has a molecular weight of 171.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine is sourced from PubChem (CID 64982687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).