4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid

C11H9F2N3O2S — CID 62891961

IUPAC4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCc1csc(Cc2ncc(C(=O)O)c(C(F)F)n2)n1
InChIInChI=1S/C11H9F2N3O2S/c1-5-4-19-8(15-5)2-7-14-3-6(11(17)18)9(16-7)10(12)13/h3-4,10H,2H2,1H3,(H,17,18)
InChIKeyUBZWROKWEMEHEH-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.47
Rot. Bonds4

About 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 62891961) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID62891961
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCc1csc(Cc2ncc(C(=O)O)c(C(F)F)n2)n1
InChIInChI=1S/C11H9F2N3O2S/c1-5-4-19-8(15-5)2-7-14-3-6(11(17)18)9(16-7)10(12)13/h3-4,10H,2H2,1H3,(H,17,18)
InChIKeyUBZWROKWEMEHEH-UHFFFAOYSA-N
XLogP2.47
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 65127864
4-(difluoromethyl)-2-(2-methoxyethyl)pyrimidine-5-carboxylic acid
CID 62893011
4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62892836
4-(difluoromethyl)-2-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 66066999
2-[(3-chloro-2-fluorophenyl)methyl]-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CID 82790349
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62797202
CID 131842856
CID 131842856
6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244674
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 62795474
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106766779
2-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 63038444

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid (CID 62891961) is 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid is Cc1csc(Cc2ncc(C(=O)O)c(C(F)F)n2)n1.
What is the InChIKey of 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is UBZWROKWEMEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c1-5-4-19-8(15-5)2-7-14-3-6(11(17)18)9(16-7)10(12)13/h3-4,10H,2H2,1H3,(H,17,18).
What are the key properties of 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62891961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).