2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide

C11H14F2N4O2S — CID 138010562

IUPAC2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(CNC(=O)N2CCC[C@H]2C(F)F)n1
InChIInChI=1S/C11H14F2N4O2S/c12-9(13)7-2-1-3-17(7)11(19)15-4-8-16-6(5-20-8)10(14)18/h5,7,9H,1-4H2,(H2,14,18)(H,15,19)/t7-/m0/s1
InChIKeyMDKLPRNXCLFHDX-ZETCQYMHSA-N
MW304.32 g/mol
LogP1.18
Rot. Bonds4

About 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide

2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 138010562) has the molecular formula C11H14F2N4O2S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID138010562
Molecular FormulaC11H14F2N4O2S
Molecular Weight304.32 g/mol
Exact Mass304.08
IUPAC Name2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(CNC(=O)N2CCC[C@H]2C(F)F)n1
InChIInChI=1S/C11H14F2N4O2S/c12-9(13)7-2-1-3-17(7)11(19)15-4-8-16-6(5-20-8)10(14)18/h5,7,9H,1-4H2,(H2,14,18)(H,15,19)/t7-/m0/s1
InChIKeyMDKLPRNXCLFHDX-ZETCQYMHSA-N
XLogP1.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 138010562) is 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(CNC(=O)N2CCC[C@H]2C(F)F)n1.
What is the InChIKey of 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MDKLPRNXCLFHDX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14F2N4O2S/c12-9(13)7-2-1-3-17(7)11(19)15-4-8-16-6(5-20-8)10(14)18/h5,7,9H,1-4H2,(H2,14,18)(H,15,19)/t7-/m0/s1.
What are the key properties of 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 138010562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).