2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide

C14H12F6N4O3S3 — CID 167897307

IUPAC2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(CC(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cs1)C(N)=O
InChIInChI=1S/C14H12F6N4O3S3/c1-5(9(21)26)29-11-23-6(4-28-11)2-8(25)24-10-22-3-7(30-10)12(27,13(15,16)17)14(18,19)20/h3-5,27H,2H2,1H3,(H2,21,26)(H,22,24,25)
InChIKeyFKMQBFOXEXFKCZ-UHFFFAOYSA-N
MW494.46 g/mol
LogP3.06
Rot. Bonds7

About 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide

2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide (PubChem CID 167897307) has the molecular formula C14H12F6N4O3S3 and a molecular weight of 494.46 g/mol. Its IUPAC name is 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
PubChem CID167897307
Molecular FormulaC14H12F6N4O3S3
Molecular Weight494.46 g/mol
Exact Mass494.00
IUPAC Name2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(CC(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cs1)C(N)=O
InChIInChI=1S/C14H12F6N4O3S3/c1-5(9(21)26)29-11-23-6(4-28-11)2-8(25)24-10-22-3-7(30-10)12(27,13(15,16)17)14(18,19)20/h3-5,27H,2H2,1H3,(H2,21,26)(H,22,24,25)
InChIKeyFKMQBFOXEXFKCZ-UHFFFAOYSA-N
XLogP3.06
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide (CID 167897307) is 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide is CC(Sc1nc(CC(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cs1)C(N)=O.
What is the InChIKey of 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
The InChIKey is FKMQBFOXEXFKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N4O3S3/c1-5(9(21)26)29-11-23-6(4-28-11)2-8(25)24-10-22-3-7(30-10)12(27,13(15,16)17)14(18,19)20/h3-5,27H,2H2,1H3,(H2,21,26)(H,22,24,25).
What are the key properties of 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide has a molecular weight of 494.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 167897307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).