2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C16H11F3N2OS2 — CID 117089380

IUPAC2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2cccs2)s1
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)11-4-1-3-10(7-11)8-20-14(22)13-9-21-15(24-13)12-5-2-6-23-12/h1-7,9H,8H2,(H,20,22)
InChIKeyYDQZJBDDBZFDKU-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.82
Rot. Bonds4

About 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 117089380) has the molecular formula C16H11F3N2OS2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID117089380
Molecular FormulaC16H11F3N2OS2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC Name2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2cccs2)s1
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)11-4-1-3-10(7-11)8-20-14(22)13-9-21-15(24-13)12-5-2-6-23-12/h1-7,9H,8H2,(H,20,22)
InChIKeyYDQZJBDDBZFDKU-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 117089380) is 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2cccs2)s1.
What is the InChIKey of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YDQZJBDDBZFDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS2/c17-16(18,19)11-4-1-3-10(7-11)8-20-14(22)13-9-21-15(24-13)12-5-2-6-23-12/h1-7,9H,8H2,(H,20,22).
What are the key properties of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117089380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).