2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C10H10F4N2OS — CID 113250817

IUPAC2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(F)(F)C(F)F
InChIInChI=1S/C10H10F4N2OS/c11-7(12)10(13,14)8(17)16-9-15-5-3-1-2-4-6(5)18-9/h7H,1-4H2,(H,15,16,17)
InChIKeyZVMHEYQLNBXGNN-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.86
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 113250817) has the molecular formula C10H10F4N2OS and a molecular weight of 282.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID113250817
Molecular FormulaC10H10F4N2OS
Molecular Weight282.26 g/mol
Exact Mass282.04
IUPAC Name2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(F)(F)C(F)F
InChIInChI=1S/C10H10F4N2OS/c11-7(12)10(13,14)8(17)16-9-15-5-3-1-2-4-6(5)18-9/h7H,1-4H2,(H,15,16,17)
InChIKeyZVMHEYQLNBXGNN-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805203
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 114996558
cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
3-methyl-2-sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 107025752
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
(2S)-2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119290962
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 113250817) is 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is O=C(Nc1nc2c(s1)CCCC2)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is ZVMHEYQLNBXGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2OS/c11-7(12)10(13,14)8(17)16-9-15-5-3-1-2-4-6(5)18-9/h7H,1-4H2,(H,15,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 282.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 113250817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).