5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine

C12H15N3S — CID 811160

IUPAC5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)
InChIKeyWEVOCASZWAUYHD-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.08
Rot. Bonds1

About 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine

5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 811160) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID811160
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)
InChIKeyWEVOCASZWAUYHD-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine (CID 811160) is 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine is CC(C)(C)c1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WEVOCASZWAUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15).
What are the key properties of 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 811160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).