(5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide

C20H17FN2OS — CID 144972830

IUPAC(5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(N)=O)Cc2snc(-c3ccccc3)c2C1
InChIInChI=1S/C20H17FN2OS/c1-12-15(8-5-9-16(12)21)20(19(22)24)10-14-17(11-20)25-23-18(14)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,22,24)/t20-/m0/s1
InChIKeyYSIBQZOWESYEEM-FQEVSTJZSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds3

About (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide

(5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide (PubChem CID 144972830) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
PubChem CID144972830
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name(5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
SMILESCc1c(F)cccc1[C@@]1(C(N)=O)Cc2snc(-c3ccccc3)c2C1
InChIInChI=1S/C20H17FN2OS/c1-12-15(8-5-9-16(12)21)20(19(22)24)10-14-17(11-20)25-23-18(14)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,22,24)/t20-/m0/s1
InChIKeyYSIBQZOWESYEEM-FQEVSTJZSA-N
XLogP3.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
The IUPAC name of (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide (CID 144972830) is (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide.
What is the SMILES notation for (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
The canonical SMILES for (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide is Cc1c(F)cccc1[C@@]1(C(N)=O)Cc2snc(-c3ccccc3)c2C1.
What is the InChIKey of (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
The InChIKey is YSIBQZOWESYEEM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-12-15(8-5-9-16(12)21)20(19(22)24)10-14-17(11-20)25-23-18(14)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,22,24)/t20-/m0/s1.
What are the key properties of (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide?
(5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-fluoro-2-methylphenyl)-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide is sourced from PubChem (CID 144972830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).