5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C16H24N4S — CID 133385892

IUPAC5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1cccc(CN(C)c2nnc(C(C)(C)C)s2)c1
InChIInChI=1S/C16H24N4S/c1-16(2,3)14-17-18-15(21-14)20(6)11-12-8-7-9-13(10-12)19(4)5/h7-10H,11H2,1-6H3
InChIKeyZZXUIIYURXQMAR-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.54
Rot. Bonds4

About 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133385892) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133385892
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1cccc(CN(C)c2nnc(C(C)(C)C)s2)c1
InChIInChI=1S/C16H24N4S/c1-16(2,3)14-17-18-15(21-14)20(6)11-12-8-7-9-13(10-12)19(4)5/h7-10H,11H2,1-6H3
InChIKeyZZXUIIYURXQMAR-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 133385892) is 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CN(C)c1cccc(CN(C)c2nnc(C(C)(C)C)s2)c1.
What is the InChIKey of 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZZXUIIYURXQMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-16(2,3)14-17-18-15(21-14)20(6)11-12-8-7-9-13(10-12)19(4)5/h7-10H,11H2,1-6H3.
What are the key properties of 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133385892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).