N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide

C17H24FN3O2S — CID 70754889

IUPACN-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ncsc1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1CCC1
InChIInChI=1S/C17H24FN3O2S/c1-11-15(24-10-20-11)5-6-16(22)21-9-13(18)7-14(21)8-19-17(23)12-3-2-4-12/h10,12-14H,2-9H2,1H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyFHWDPHZIFGSNPX-KBPBESRZSA-N
MW353.46 g/mol
LogP2.24
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide

N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 70754889) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID70754889
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
SMILESCc1ncsc1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1CCC1
InChIInChI=1S/C17H24FN3O2S/c1-11-15(24-10-20-11)5-6-16(22)21-9-13(18)7-14(21)8-19-17(23)12-3-2-4-12/h10,12-14H,2-9H2,1H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyFHWDPHZIFGSNPX-KBPBESRZSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide (CID 70754889) is N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide is Cc1ncsc1CCC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1CCC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is FHWDPHZIFGSNPX-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c1-11-15(24-10-20-11)5-6-16(22)21-9-13(18)7-14(21)8-19-17(23)12-3-2-4-12/h10,12-14H,2-9H2,1H3,(H,19,23)/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide?
N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 353.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 70754889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).