N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide

C10H11F6N3OS — CID 1208101

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide
SMILESCCC(=O)NC(Nc1ncc(C)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N3OS/c1-3-6(20)18-8(9(11,12)13,10(14,15)16)19-7-17-4-5(2)21-7/h4H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAARUWUIOTZXIGJ-UHFFFAOYSA-N
MW335.27 g/mol
LogP3.21
Rot. Bonds4

About N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide

N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide (PubChem CID 1208101) has the molecular formula C10H11F6N3OS and a molecular weight of 335.27 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide
PubChem CID1208101
Molecular FormulaC10H11F6N3OS
Molecular Weight335.27 g/mol
Exact Mass335.05
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide
SMILESCCC(=O)NC(Nc1ncc(C)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N3OS/c1-3-6(20)18-8(9(11,12)13,10(14,15)16)19-7-17-4-5(2)21-7/h4H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAARUWUIOTZXIGJ-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide (CID 1208101) is N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide is CCC(=O)NC(Nc1ncc(C)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide?
The InChIKey is AARUWUIOTZXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3OS/c1-3-6(20)18-8(9(11,12)13,10(14,15)16)19-7-17-4-5(2)21-7/h4H,3H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide has a molecular weight of 335.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]propanamide is sourced from PubChem (CID 1208101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).