5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine

C17H25N3S — CID 103380451

IUPAC5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCCCCN(c1snc(N)c1-c1ccccc1)C(C)C
InChIInChI=1S/C17H25N3S/c1-4-5-9-12-20(13(2)3)17-15(16(18)19-21-17)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H2,18,19)
InChIKeyVQRYDBIJMUKGGL-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.80
Rot. Bonds7

About 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine

5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine (PubChem CID 103380451) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
PubChem CID103380451
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCCCCN(c1snc(N)c1-c1ccccc1)C(C)C
InChIInChI=1S/C17H25N3S/c1-4-5-9-12-20(13(2)3)17-15(16(18)19-21-17)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H2,18,19)
InChIKeyVQRYDBIJMUKGGL-UHFFFAOYSA-N
XLogP4.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine (CID 103380451) is 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine is CCCCCN(c1snc(N)c1-c1ccccc1)C(C)C.
What is the InChIKey of 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The InChIKey is VQRYDBIJMUKGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-5-9-12-20(13(2)3)17-15(16(18)19-21-17)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H2,18,19).
What are the key properties of 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine has a molecular weight of 303.47 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).