N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide

C14H21FN4O3S2 — CID 70758854

IUPACN-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CC1=CSC2=NCCCN12
InChIInChI=1S/C14H21FN4O3S2/c1-24(21,22)17-7-11-5-10(15)8-19(11)13(20)6-12-9-23-14-16-3-2-4-18(12)14/h9-11,17H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyBZHVDARYGLNWPI-QWRGUYRKSA-N
MW376.48 g/mol
LogP0.51
Rot. Bonds5

About N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide

N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide (PubChem CID 70758854) has the molecular formula C14H21FN4O3S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
PubChem CID70758854
Molecular FormulaC14H21FN4O3S2
Molecular Weight376.48 g/mol
Exact Mass376.10
IUPAC NameN-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CC1=CSC2=NCCCN12
InChIInChI=1S/C14H21FN4O3S2/c1-24(21,22)17-7-11-5-10(15)8-19(11)13(20)6-12-9-23-14-16-3-2-4-18(12)14/h9-11,17H,2-8H2,1H3/t10-,11-/m0/s1
InChIKeyBZHVDARYGLNWPI-QWRGUYRKSA-N
XLogP0.51
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide (CID 70758854) is N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1C[C@H](F)CN1C(=O)CC1=CSC2=NCCCN12.
What is the InChIKey of N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide?
The InChIKey is BZHVDARYGLNWPI-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21FN4O3S2/c1-24(21,22)17-7-11-5-10(15)8-19(11)13(20)6-12-9-23-14-16-3-2-4-18(12)14/h9-11,17H,2-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide?
N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70758854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).