N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

C13H11F6N3OS — CID 1046762

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESO=C(NC(NC1=NCCS1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H11F6N3OS/c14-12(15,16)11(13(17,18)19,22-10-20-6-7-24-10)21-9(23)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,22)(H,21,23)
InChIKeyHVJCKZFDHJNLPB-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.93
Rot. Bonds3

About N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (PubChem CID 1046762) has the molecular formula C13H11F6N3OS and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
PubChem CID1046762
Molecular FormulaC13H11F6N3OS
Molecular Weight371.31 g/mol
Exact Mass371.05
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESO=C(NC(NC1=NCCS1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H11F6N3OS/c14-12(15,16)11(13(17,18)19,22-10-20-6-7-24-10)21-9(23)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,22)(H,21,23)
InChIKeyHVJCKZFDHJNLPB-UHFFFAOYSA-N
XLogP2.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.93
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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Related Compounds

N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
N-(4,5-Dihydro-2-thiazolyl)-3-methylbenzamide
CID 799139
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 821560
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 2402452
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 2962300
4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 3757861
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 924634
o-Toluamide, N-(2-thiazolidinylidene)-
CID 149475
Benzamide, N-(4,5-dihydro-2-thiazolyl)-3-(trifluoromethyl)-
CID 2676785

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (CID 1046762) is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is O=C(NC(NC1=NCCS1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The InChIKey is HVJCKZFDHJNLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3OS/c14-12(15,16)11(13(17,18)19,22-10-20-6-7-24-10)21-9(23)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide has a molecular weight of 371.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is sourced from PubChem (CID 1046762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).