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

C12H18N4S2 — CID 82423605

IUPAC5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2cnc(C(C)(C)C)s2)s1
InChIInChI=1S/C12H18N4S2/c1-7(2)14-11-16-15-9(18-11)8-6-13-10(17-8)12(3,4)5/h6-7H,1-5H3,(H,14,16)
InChIKeyASHSIJCFWWYPEI-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.78
Rot. Bonds3

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

5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 82423605) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID82423605
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2cnc(C(C)(C)C)s2)s1
InChIInChI=1S/C12H18N4S2/c1-7(2)14-11-16-15-9(18-11)8-6-13-10(17-8)12(3,4)5/h6-7H,1-5H3,(H,14,16)
InChIKeyASHSIJCFWWYPEI-UHFFFAOYSA-N
XLogP3.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(6-tert-butyl-2-methyl-3-pyridinyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82452198
2-tert-butyl-5-phenyl-1,3-thiazole
CID 21059934
N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 82515802
2-tert-butyl-5-propan-2-yl-1,3-thiazole
CID 59135224
N-butan-2-yl-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422488
N-propan-2-yl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 17456564
N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine
CID 130643850
N-(2-methylpropyl)-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422487
N-butan-2-yl-5-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422355
5-[2-(dimethylamino)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82515098
5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole
CID 54428214
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 82423605) is 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(-c2cnc(C(C)(C)C)s2)s1.
What is the InChIKey of 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is ASHSIJCFWWYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-7(2)14-11-16-15-9(18-11)8-6-13-10(17-8)12(3,4)5/h6-7H,1-5H3,(H,14,16).
What are the key properties of 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 282.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82423605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).