2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C10H11F3N2O2S — CID 58428761

IUPAC2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCN(c2nc(C(F)(F)F)c(C(=O)O)s2)C1
InChIInChI=1S/C10H11F3N2O2S/c1-5-2-3-15(4-5)9-14-7(10(11,12)13)6(18-9)8(16)17/h5H,2-4H2,1H3,(H,16,17)
InChIKeyJWVXENGPXVPKRQ-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.71
Rot. Bonds2

About 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58428761) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID58428761
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCN(c2nc(C(F)(F)F)c(C(=O)O)s2)C1
InChIInChI=1S/C10H11F3N2O2S/c1-5-2-3-15(4-5)9-14-7(10(11,12)13)6(18-9)8(16)17/h5H,2-4H2,1H3,(H,16,17)
InChIKeyJWVXENGPXVPKRQ-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Dimethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23509747
4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic Acid
CID 7130874
2-(Butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19616611
2-(Tert-butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 20064725
Ethyl 2-diethylamino-4-trifluoromethyl-5-thiazolecarboxylate
CID 20064731
2-(Ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 22411061
Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate
CID 26598048
2-(Piperidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylic acid
CID 26986041
2-(1-((2,2-difluorocyclopropyl)methyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxylic acid
CID 44192372
2-[(Propan-2-yl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 56977842
2-[(Butan-2-yl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 57177820
2-(3-((2,2-Difluorocyclopropyl)methyl)-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxylic acid
CID 57919812

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 58428761) is 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CC1CCN(c2nc(C(F)(F)F)c(C(=O)O)s2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JWVXENGPXVPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-5-2-3-15(4-5)9-14-7(10(11,12)13)6(18-9)8(16)17/h5H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58428761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).