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

C12H18N4S2 — CID 82438371

IUPAC5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nc(C(C)(C)C)c(-c2nnc(N)s2)s1
InChIInChI=1S/C12H18N4S2/c1-6(2)9-14-8(12(3,4)5)7(17-9)10-15-16-11(13)18-10/h6H,1-5H3,(H2,13,16)
InChIKeyGIPFDVUDISUZPH-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.66
Rot. Bonds2

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

5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82438371) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82438371
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nc(C(C)(C)C)c(-c2nnc(N)s2)s1
InChIInChI=1S/C12H18N4S2/c1-6(2)9-14-8(12(3,4)5)7(17-9)10-15-16-11(13)18-10/h6H,1-5H3,(H2,13,16)
InChIKeyGIPFDVUDISUZPH-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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Related Compounds

5-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82434646
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 65204130
5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82426676
2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069481
3-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82438369
5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 163663942
5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433506
5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82432451
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82435187
5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 130806498

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82438371) is 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CC(C)c1nc(C(C)(C)C)c(-c2nnc(N)s2)s1.
What is the InChIKey of 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GIPFDVUDISUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-6(2)9-14-8(12(3,4)5)7(17-9)10-15-16-11(13)18-10/h6H,1-5H3,(H2,13,16).
What are the key properties of 5-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(4-tert-butyl-2-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-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82438371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).