6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H21FN4O2S — CID 56716149

IUPAC6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)N1C[C@H](NC(=O)c2csc3nc(-c4ccccc4F)cn23)[C@@H](O)C1
InChIInChI=1S/C19H21FN4O2S/c1-11(2)23-7-15(17(25)9-23)21-18(26)16-10-27-19-22-14(8-24(16)19)12-5-3-4-6-13(12)20/h3-6,8,10-11,15,17,25H,7,9H2,1-2H3,(H,21,26)/t15-,17-/m0/s1
InChIKeyJUCJUQQGFPQUDD-RDJZCZTQSA-N
MW388.47 g/mol
LogP2.39
Rot. Bonds4

About 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56716149) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56716149
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)N1C[C@H](NC(=O)c2csc3nc(-c4ccccc4F)cn23)[C@@H](O)C1
InChIInChI=1S/C19H21FN4O2S/c1-11(2)23-7-15(17(25)9-23)21-18(26)16-10-27-19-22-14(8-24(16)19)12-5-3-4-6-13(12)20/h3-6,8,10-11,15,17,25H,7,9H2,1-2H3,(H,21,26)/t15-,17-/m0/s1
InChIKeyJUCJUQQGFPQUDD-RDJZCZTQSA-N
XLogP2.39
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 95195402
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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56716149) is 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC(C)N1C[C@H](NC(=O)c2csc3nc(-c4ccccc4F)cn23)[C@@H](O)C1.
What is the InChIKey of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is JUCJUQQGFPQUDD-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-11(2)23-7-15(17(25)9-23)21-18(26)16-10-27-19-22-14(8-24(16)19)12-5-3-4-6-13(12)20/h3-6,8,10-11,15,17,25H,7,9H2,1-2H3,(H,21,26)/t15-,17-/m0/s1.
What are the key properties of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56716149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).