4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole

C15H16FN5OS — CID 171774633

IUPAC4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@H]1C[C@@H](Oc2cnc3nccn3c2)CN1Cc1scnc1F
InChIInChI=1S/C15H16FN5OS/c1-10-4-11(6-21(10)8-13-14(16)19-9-23-13)22-12-5-18-15-17-2-3-20(15)7-12/h2-3,5,7,9-11H,4,6,8H2,1H3/t10-,11+/m0/s1
InChIKeyBVTMCUUZYRPWKM-WDEREUQCSA-N
MW333.39 g/mol
LogP2.37
Rot. Bonds4

About 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole

4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 171774633) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID171774633
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESC[C@H]1C[C@@H](Oc2cnc3nccn3c2)CN1Cc1scnc1F
InChIInChI=1S/C15H16FN5OS/c1-10-4-11(6-21(10)8-13-14(16)19-9-23-13)22-12-5-18-15-17-2-3-20(15)7-12/h2-3,5,7,9-11H,4,6,8H2,1H3/t10-,11+/m0/s1
InChIKeyBVTMCUUZYRPWKM-WDEREUQCSA-N
XLogP2.37
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole (CID 171774633) is 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole is C[C@H]1C[C@@H](Oc2cnc3nccn3c2)CN1Cc1scnc1F.
What is the InChIKey of 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BVTMCUUZYRPWKM-WDEREUQCSA-N. The full InChI is InChI=1S/C15H16FN5OS/c1-10-4-11(6-21(10)8-13-14(16)19-9-23-13)22-12-5-18-15-17-2-3-20(15)7-12/h2-3,5,7,9-11H,4,6,8H2,1H3/t10-,11+/m0/s1.
What are the key properties of 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole?
4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 333.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[[(2S,4R)-4-imidazo[1,2-a]pyrimidin-6-yloxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 171774633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).