2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C11H9F3N4O2S — CID 66375286

IUPAC2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1nccc(C(F)(F)F)n1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H9F3N4O2S/c1-5(8-17-6(4-21-8)9(19)20)16-10-15-3-2-7(18-10)11(12,13)14/h2-5H,1H3,(H,19,20)(H,15,16,18)
InChIKeySVXQOUJCIWEZGI-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.82
Rot. Bonds4

About 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66375286) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66375286
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1nccc(C(F)(F)F)n1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H9F3N4O2S/c1-5(8-17-6(4-21-8)9(19)20)16-10-15-3-2-7(18-10)11(12,13)14/h2-5H,1H3,(H,19,20)(H,15,16,18)
InChIKeySVXQOUJCIWEZGI-UHFFFAOYSA-N
XLogP2.82
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63091595
2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372975
2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375481
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 103385118
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[(5-nitropyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372600
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47464136

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66375286) is 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(Nc1nccc(C(F)(F)F)n1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SVXQOUJCIWEZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-5(8-17-6(4-21-8)9(19)20)16-10-15-3-2-7(18-10)11(12,13)14/h2-5H,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 318.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66375286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).