(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

C15H22N2OS — CID 93072504

IUPAC(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCc1cccc([C@H]2SCC(=O)N2CCNC(C)C)c1
InChIInChI=1S/C15H22N2OS/c1-11(2)16-7-8-17-14(18)10-19-15(17)13-6-4-5-12(3)9-13/h4-6,9,11,15-16H,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyWZRWNMWTTLOJCG-OAHLLOKOSA-N
MW278.42 g/mol
LogP2.57
Rot. Bonds5

About (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 93072504) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
PubChem CID93072504
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCc1cccc([C@H]2SCC(=O)N2CCNC(C)C)c1
InChIInChI=1S/C15H22N2OS/c1-11(2)16-7-8-17-14(18)10-19-15(17)13-6-4-5-12(3)9-13/h4-6,9,11,15-16H,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyWZRWNMWTTLOJCG-OAHLLOKOSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
N-ethyl-2-methoxy-N-[2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 42815353
N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814453
N-ethyl-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42815580
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811
4-methyl-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]pentanoic acid
CID 42814613
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980
3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one
CID 3447829
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (CID 93072504) is (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is Cc1cccc([C@H]2SCC(=O)N2CCNC(C)C)c1.
What is the InChIKey of (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is WZRWNMWTTLOJCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)16-7-8-17-14(18)10-19-15(17)13-6-4-5-12(3)9-13/h4-6,9,11,15-16H,7-8,10H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 93072504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).