5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine

C15H21N3S — CID 103381999

IUPAC5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCC(C)(C)N(C)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C15H21N3S/c1-5-15(2,3)18(4)14-12(13(16)17-19-14)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H2,16,17)
InChIKeyAJFZRIDFCYUDRB-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.02
Rot. Bonds4

About 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine

5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103381999) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103381999
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCC(C)(C)N(C)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C15H21N3S/c1-5-15(2,3)18(4)14-12(13(16)17-19-14)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H2,16,17)
InChIKeyAJFZRIDFCYUDRB-UHFFFAOYSA-N
XLogP4.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103381999) is 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine is CCC(C)(C)N(C)c1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is AJFZRIDFCYUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-15(2,3)18(4)14-12(13(16)17-19-14)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H2,16,17).
What are the key properties of 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 275.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).