2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C9H9F3N2OS — CID 7213224

IUPAC2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(F)(F)F
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)7(15)14-8-13-5-3-1-2-4-6(5)16-8/h1-4H2,(H,13,14,15)
InChIKeyHPFBSYAJHUFRCR-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.52
Rot. Bonds1

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

2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7213224) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID7213224
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(F)(F)F
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)7(15)14-8-13-5-3-1-2-4-6(5)16-8/h1-4H2,(H,13,14,15)
InChIKeyHPFBSYAJHUFRCR-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)amino)propanoate
CID 660917
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3706069
Ethyl 3,3,3-trifluoro-2-(propionylamino)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propanoate
CID 4084659
N-[1,1,1,3,3,3-hexafluoro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]acetamide
CID 4271203
Methyl 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamate
CID 2970702
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3240725
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 3566085
2-ethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 16015989
1-Ethyl-3-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)urea
CID 49720531
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 2849734
1-Piperidinecarbodithioic acid, 2-oxo-2-((4,5,6,7-tetrahydro-2-benzothiazolyl)amino)ethyl ester
CID 373880
2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3107996

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 7213224) is 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(Nc1nc2c(s1)CCCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HPFBSYAJHUFRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c10-9(11,12)7(15)14-8-13-5-3-1-2-4-6(5)16-8/h1-4H2,(H,13,14,15).
What are the key properties of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 250.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7213224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).