2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C15H12F2N2O3S — CID 124570526

IUPAC2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n1
InChIInChI=1S/C15H12F2N2O3S/c16-7-1-2-8(11(17)3-7)9-4-10(9)14(20)18-5-13-19-12(6-23-13)15(21)22/h1-3,6,9-10H,4-5H2,(H,18,20)(H,21,22)/t9-,10+/m0/s1
InChIKeyVIAJWBKFKKAMNS-VHSXEESVSA-N
MW338.34 g/mol
LogP2.54
Rot. Bonds5

About 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 124570526) has the molecular formula C15H12F2N2O3S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID124570526
Molecular FormulaC15H12F2N2O3S
Molecular Weight338.34 g/mol
Exact Mass338.05
IUPAC Name2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n1
InChIInChI=1S/C15H12F2N2O3S/c16-7-1-2-8(11(17)3-7)9-4-10(9)14(20)18-5-13-19-12(6-23-13)15(21)22/h1-3,6,9-10H,4-5H2,(H,18,20)(H,21,22)/t9-,10+/m0/s1
InChIKeyVIAJWBKFKKAMNS-VHSXEESVSA-N
XLogP2.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102559952
2-[[[(1R,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 124570466
2-[[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245016
2-[[[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99605986
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381509
4-[[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688196
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
2-[[(3-fluorophenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381067
2-[[[(1S,2R)-2-cyclohexylcyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 124570507
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
2-[(cyclopent-3-ene-1-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380657

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 124570526) is 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n1.
What is the InChIKey of 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VIAJWBKFKKAMNS-VHSXEESVSA-N. The full InChI is InChI=1S/C15H12F2N2O3S/c16-7-1-2-8(11(17)3-7)9-4-10(9)14(20)18-5-13-19-12(6-23-13)15(21)22/h1-3,6,9-10H,4-5H2,(H,18,20)(H,21,22)/t9-,10+/m0/s1.
What are the key properties of 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 338.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 124570526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).