2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone

C17H10F3N3O2S3 — CID 43968960

IUPAC2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc2sc(Nc3nc(-c4cccs4)c(C(=O)C(F)(F)F)s3)nc2c1
InChIInChI=1S/C17H10F3N3O2S3/c1-25-8-4-5-10-9(7-8)21-15(27-10)23-16-22-12(11-3-2-6-26-11)13(28-16)14(24)17(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyOYIBYGXNEDBBSY-UHFFFAOYSA-N
MW441.48 g/mol
LogP5.98
Rot. Bonds5

About 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone

2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 43968960) has the molecular formula C17H10F3N3O2S3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
PubChem CID43968960
Molecular FormulaC17H10F3N3O2S3
Molecular Weight441.48 g/mol
Exact Mass440.99
IUPAC Name2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc2sc(Nc3nc(-c4cccs4)c(C(=O)C(F)(F)F)s3)nc2c1
InChIInChI=1S/C17H10F3N3O2S3/c1-25-8-4-5-10-9(7-8)21-15(27-10)23-16-22-12(11-3-2-6-26-11)13(28-16)14(24)17(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyOYIBYGXNEDBBSY-UHFFFAOYSA-N
XLogP5.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513050
3-thiophen-2-yl-N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 71962953
4-pentoxy-N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]benzamide
CID 4100167
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968995
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 7918511
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 20885064
2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226534
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
methyl N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]thiophene-3-carbonyl]carbamate
CID 7158844

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone (CID 43968960) is 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone is COc1ccc2sc(Nc3nc(-c4cccs4)c(C(=O)C(F)(F)F)s3)nc2c1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is OYIBYGXNEDBBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2S3/c1-25-8-4-5-10-9(7-8)21-15(27-10)23-16-22-12(11-3-2-6-26-11)13(28-16)14(24)17(18,19)20/h2-7H,1H3,(H,21,22,23).
What are the key properties of 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone?
2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 441.48 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 43968960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).