N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide

C16H11F3N2O2S2 — CID 55604969

IUPACN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)9-23-11-5-3-10(4-6-11)14(22)21-15-20-12(8-25-15)13-2-1-7-24-13/h1-8H,9H2,(H,20,21,22)
InChIKeyPNHYBQQDTVTCGU-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.07
Rot. Bonds5

About N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 55604969) has the molecular formula C16H11F3N2O2S2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID55604969
Molecular FormulaC16H11F3N2O2S2
Molecular Weight384.40 g/mol
Exact Mass384.02
IUPAC NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)9-23-11-5-3-10(4-6-11)14(22)21-15-20-12(8-25-15)13-2-1-7-24-13/h1-8H,9H2,(H,20,21,22)
InChIKeyPNHYBQQDTVTCGU-UHFFFAOYSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 55376558
3-amino-4-propoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 110502865
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55842822
4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983584
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251

Frequently Asked Questions

What is the IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide (CID 55604969) is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is PNHYBQQDTVTCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S2/c17-16(18,19)9-23-11-5-3-10(4-6-11)14(22)21-15-20-12(8-25-15)13-2-1-7-24-13/h1-8H,9H2,(H,20,21,22).
What are the key properties of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide?
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 384.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 55604969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).