(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C14H17F2N5OS — CID 95621117

IUPAC(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nccn1C(F)F)[C@@H]1CCCN1c1nccs1
InChIInChI=1S/C14H17F2N5OS/c15-13(16)21-8-5-17-11(21)3-4-18-12(22)10-2-1-7-20(10)14-19-6-9-23-14/h5-6,8-10,13H,1-4,7H2,(H,18,22)/t10-/m0/s1
InChIKeyYCJYQKKLIRZSJU-JTQLQIEISA-N
MW341.39 g/mol
LogP2.06
Rot. Bonds6

About (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 95621117) has the molecular formula C14H17F2N5OS and a molecular weight of 341.39 g/mol. Its IUPAC name is (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID95621117
Molecular FormulaC14H17F2N5OS
Molecular Weight341.39 g/mol
Exact Mass341.11
IUPAC Name(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nccn1C(F)F)[C@@H]1CCCN1c1nccs1
InChIInChI=1S/C14H17F2N5OS/c15-13(16)21-8-5-17-11(21)3-4-18-12(22)10-2-1-7-20(10)14-19-6-9-23-14/h5-6,8-10,13H,1-4,7H2,(H,18,22)/t10-/m0/s1
InChIKeyYCJYQKKLIRZSJU-JTQLQIEISA-N
XLogP2.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 95621117) is (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(NCCc1nccn1C(F)F)[C@@H]1CCCN1c1nccs1.
What is the InChIKey of (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is YCJYQKKLIRZSJU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F2N5OS/c15-13(16)21-8-5-17-11(21)3-4-18-12(22)10-2-1-7-20(10)14-19-6-9-23-14/h5-6,8-10,13H,1-4,7H2,(H,18,22)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95621117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).