5-tert-butyl-1,3,4-thiadiazol-2-amine chloride

C6H11ClN3S- — CID 21205120

IUPAC5-tert-butyl-1,3,4-thiadiazol-2-amine chloride
SMILESCC(C)(C)c1nnc(N)s1.[Cl-]
InChIInChI=1S/C6H11N3S.ClH/c1-6(2,3)4-8-9-5(7)10-4;/h1-3H3,(H2,7,9);1H/p-1
InChIKeyMIUSDLAERREHOJ-UHFFFAOYSA-M
MW192.70 g/mol
LogP-1.58
Rot. Bonds

About 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride

5-tert-butyl-1,3,4-thiadiazol-2-amine chloride (PubChem CID 21205120) has the molecular formula C6H11ClN3S- and a molecular weight of 192.70 g/mol. Its IUPAC name is 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride.

Molecular Properties

Compound Name5-tert-butyl-1,3,4-thiadiazol-2-amine chloride
PubChem CID21205120
Molecular FormulaC6H11ClN3S-
Molecular Weight192.70 g/mol
Exact Mass192.04
IUPAC Name5-tert-butyl-1,3,4-thiadiazol-2-amine chloride
SMILESCC(C)(C)c1nnc(N)s1.[Cl-]
InChIInChI=1S/C6H11N3S.ClH/c1-6(2,3)4-8-9-5(7)10-4;/h1-3H3,(H2,7,9);1H/p-1
InChIKeyMIUSDLAERREHOJ-UHFFFAOYSA-M
XLogP-1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.70
LogP ≤ 5-1.58
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-amine chloride?
The IUPAC name of 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride (CID 21205120) is 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride.
What is the SMILES notation for 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride?
The canonical SMILES for 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride is CC(C)(C)c1nnc(N)s1.[Cl-].
What is the InChIKey of 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride?
The InChIKey is MIUSDLAERREHOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N3S.ClH/c1-6(2,3)4-8-9-5(7)10-4;/h1-3H3,(H2,7,9);1H/p-1.
What are the key properties of 5-tert-butyl-1,3,4-thiadiazol-2-amine chloride?
5-tert-butyl-1,3,4-thiadiazol-2-amine chloride has a molecular weight of 192.70 g/mol, XLogP of -1.58, 0 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-amine chloride is sourced from PubChem (CID 21205120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).