4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C9H6ClF3N2S2 — CID 166357506

IUPAC4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(-c2sccc2Cl)cs1
InChIInChI=1S/C9H6ClF3N2S2/c10-5-1-2-16-7(5)6-3-17-8(15-6)14-4-9(11,12)13/h1-3H,4H2,(H,14,15)
InChIKeyNEBQLVTXBPFNHP-UHFFFAOYSA-N
MW298.74 g/mol
LogP4.50
Rot. Bonds3

About 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 166357506) has the molecular formula C9H6ClF3N2S2 and a molecular weight of 298.74 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID166357506
Molecular FormulaC9H6ClF3N2S2
Molecular Weight298.74 g/mol
Exact Mass297.96
IUPAC Name4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(-c2sccc2Cl)cs1
InChIInChI=1S/C9H6ClF3N2S2/c10-5-1-2-16-7(5)6-3-17-8(15-6)14-4-9(11,12)13/h1-3H,4H2,(H,14,15)
InChIKeyNEBQLVTXBPFNHP-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 110208879
4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852
4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 51107739
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 107361117
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 107361052
4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 107362495
1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 133451634
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257713
[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 63991302
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 166357506) is 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is FC(F)(F)CNc1nc(-c2sccc2Cl)cs1.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is NEBQLVTXBPFNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2S2/c10-5-1-2-16-7(5)6-3-17-8(15-6)14-4-9(11,12)13/h1-3H,4H2,(H,14,15).
What are the key properties of 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 298.74 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166357506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).