4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide

C8H9F3N2OS — CID 123752281

IUPAC4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC(C)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-4-3-15-7(12-4)6(14)13-5(2)8(9,10)11/h3,5H,1-2H3,(H,13,14)
InChIKeyJUSJVBHFFKTBJM-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.13
Rot. Bonds2

About 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide

4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 123752281) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID123752281
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC(C)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-4-3-15-7(12-4)6(14)13-5(2)8(9,10)11/h3,5H,1-2H3,(H,13,14)
InChIKeyJUSJVBHFFKTBJM-UHFFFAOYSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 71866600
2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-N-propan-2-ylacetamide
CID 71986454
N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide
CID 71990543
2,2-dimethyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]propanamide
CID 71993361
2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 71993368
2,2-dimethyl-N-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]propanamide
CID 40062622
N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71986783
N~2~-cyclopropyl-N~1~-({2-[(methylthio)methyl]-1,3-thiazol-4-yl}methyl)glycinamide
CID 77085318
N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide
CID 96563635
N-(3-ethoxypropyl)-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 121557499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide (CID 123752281) is 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NC(C)C(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is JUSJVBHFFKTBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-4-3-15-7(12-4)6(14)13-5(2)8(9,10)11/h3,5H,1-2H3,(H,13,14).
What are the key properties of 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 238.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123752281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).