1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide

C14H17F3N4O2S2 — CID 20647087

IUPAC1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F
InChIInChI=1S/C14H17F3N4O2S2/c15-14(16,17)25(22,23)20-9-4-1-3-8-19-13-21-12(10-24-13)11-6-2-5-7-18-11/h2,5-7,10,20H,1,3-4,8-9H2,(H,19,21)
InChIKeyBOGGMEHYSZTNRH-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.23
Rot. Bonds9

About 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide

1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide (PubChem CID 20647087) has the molecular formula C14H17F3N4O2S2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
PubChem CID20647087
Molecular FormulaC14H17F3N4O2S2
Molecular Weight394.44 g/mol
Exact Mass394.07
IUPAC Name1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F
InChIInChI=1S/C14H17F3N4O2S2/c15-14(16,17)25(22,23)20-9-4-1-3-8-19-13-21-12(10-24-13)11-6-2-5-7-18-11/h2,5-7,10,20H,1,3-4,8-9H2,(H,19,21)
InChIKeyBOGGMEHYSZTNRH-UHFFFAOYSA-N
XLogP3.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide (CID 20647087) is 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide is O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
The InChIKey is BOGGMEHYSZTNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S2/c15-14(16,17)25(22,23)20-9-4-1-3-8-19-13-21-12(10-24-13)11-6-2-5-7-18-11/h2,5-7,10,20H,1,3-4,8-9H2,(H,19,21).
What are the key properties of 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide has a molecular weight of 394.44 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide is sourced from PubChem (CID 20647087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).