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

C16H11F3N2OS2 — CID 7668129

IUPAC4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS2/c1-9-13(24-15(20-9)12-6-3-7-23-12)14(22)21-11-5-2-4-10(8-11)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyIDOZWHRJGYVQSI-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.45
Rot. Bonds3

About 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 7668129) has the molecular formula C16H11F3N2OS2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID7668129
Molecular FormulaC16H11F3N2OS2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC Name4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS2/c1-9-13(24-15(20-9)12-6-3-7-23-12)14(22)21-11-5-2-4-10(8-11)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyIDOZWHRJGYVQSI-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 34264864
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110902207
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 7668129) is 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IDOZWHRJGYVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS2/c1-9-13(24-15(20-9)12-6-3-7-23-12)14(22)21-11-5-2-4-10(8-11)16(17,18)19/h2-8H,1H3,(H,21,22).
What are the key properties of 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7668129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).