5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

C12H18N4S2 — CID 82434646

IUPAC5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nc(C(C)(C)C)sc1-c1nnc(N)s1
InChIInChI=1S/C12H18N4S2/c1-6(2)7-8(9-15-16-11(13)18-9)17-10(14-7)12(3,4)5/h6H,1-5H3,(H2,13,16)
InChIKeyFBDRXPIEZXVXPH-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.66
Rot. Bonds2

About 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82434646) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82434646
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nc(C(C)(C)C)sc1-c1nnc(N)s1
InChIInChI=1S/C12H18N4S2/c1-6(2)7-8(9-15-16-11(13)18-9)17-10(14-7)12(3,4)5/h6H,1-5H3,(H2,13,16)
InChIKeyFBDRXPIEZXVXPH-UHFFFAOYSA-N
XLogP3.66
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82434646) is 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CC(C)c1nc(C(C)(C)C)sc1-c1nnc(N)s1.
What is the InChIKey of 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FBDRXPIEZXVXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-6(2)7-8(9-15-16-11(13)18-9)17-10(14-7)12(3,4)5/h6H,1-5H3,(H2,13,16).
What are the key properties of 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 282.44 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82434646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).