4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide

C11H9F3N2O2S2 — CID 81341188

IUPAC4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C11H9F3N2O2S2/c1-6-8(9(17)16-18-5-11(12,13)14)20-10(15-6)7-3-2-4-19-7/h2-4H,5H2,1H3,(H,16,17)
InChIKeyOBVVBGTVPNABEN-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.40
Rot. Bonds4

About 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide

4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide (PubChem CID 81341188) has the molecular formula C11H9F3N2O2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
PubChem CID81341188
Molecular FormulaC11H9F3N2O2S2
Molecular Weight322.33 g/mol
Exact Mass322.01
IUPAC Name4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C11H9F3N2O2S2/c1-6-8(9(17)16-18-5-11(12,13)14)20-10(15-6)7-3-2-4-19-7/h2-4H,5H2,1H3,(H,16,17)
InChIKeyOBVVBGTVPNABEN-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103895328
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110002956
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
2-methoxy-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 106107082
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 115594896
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide (CID 81341188) is 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
The InChIKey is OBVVBGTVPNABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S2/c1-6-8(9(17)16-18-5-11(12,13)14)20-10(15-6)7-3-2-4-19-7/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide?
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 81341188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).