propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate

C10H11F6N3O2S — CID 2729329

IUPACpropan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
SMILESCC(C)OC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N3O2S/c1-5(2)21-7(20)19-8(9(11,12)13,10(14,15)16)18-6-17-3-4-22-6/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLSZMLOYCVWHYRY-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.51
Rot. Bonds4

About propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate

propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate (PubChem CID 2729329) has the molecular formula C10H11F6N3O2S and a molecular weight of 351.27 g/mol. Its IUPAC name is propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
PubChem CID2729329
Molecular FormulaC10H11F6N3O2S
Molecular Weight351.27 g/mol
Exact Mass351.05
IUPAC Namepropan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
SMILESCC(C)OC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6N3O2S/c1-5(2)21-7(20)19-8(9(11,12)13,10(14,15)16)18-6-17-3-4-22-6/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyLSZMLOYCVWHYRY-UHFFFAOYSA-N
XLogP3.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate (CID 2729329) is propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate is CC(C)OC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
The InChIKey is LSZMLOYCVWHYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O2S/c1-5(2)21-7(20)19-8(9(11,12)13,10(14,15)16)18-6-17-3-4-22-6/h3-5H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate has a molecular weight of 351.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 2729329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).