methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate

C19H18FN3O2S — CID 118560006

IUPACmethyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)[C@@]1(c2cccc(F)c2C)Cc2nc(-c3ccnn3C)sc2C1
InChIInChI=1S/C19H18FN3O2S/c1-11-12(5-4-6-13(11)20)19(18(24)25-3)9-14-16(10-19)26-17(22-14)15-7-8-21-23(15)2/h4-8H,9-10H2,1-3H3/t19-/m0/s1
InChIKeyWNGTUHPAUCMZQM-IBGZPJMESA-N
MW371.44 g/mol
LogP3.20
Rot. Bonds3

About methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate

methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate (PubChem CID 118560006) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
PubChem CID118560006
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Namemethyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)[C@@]1(c2cccc(F)c2C)Cc2nc(-c3ccnn3C)sc2C1
InChIInChI=1S/C19H18FN3O2S/c1-11-12(5-4-6-13(11)20)19(18(24)25-3)9-14-16(10-19)26-17(22-14)15-7-8-21-23(15)2/h4-8H,9-10H2,1-3H3/t19-/m0/s1
InChIKeyWNGTUHPAUCMZQM-IBGZPJMESA-N
XLogP3.20
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
The IUPAC name of methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate (CID 118560006) is methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
The canonical SMILES for methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate is COC(=O)[C@@]1(c2cccc(F)c2C)Cc2nc(-c3ccnn3C)sc2C1.
What is the InChIKey of methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
The InChIKey is WNGTUHPAUCMZQM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-11-12(5-4-6-13(11)20)19(18(24)25-3)9-14-16(10-19)26-17(22-14)15-7-8-21-23(15)2/h4-8H,9-10H2,1-3H3/t19-/m0/s1.
What are the key properties of methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate?
methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 118560006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).