(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one

C16H19ClN6OS — CID 71592432

IUPAC(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
SMILESCN1CCN(c2n[nH]c(N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H19ClN6OS/c1-21-6-8-22(9-7-21)15-18-16(20-19-15)23-13(24)10-25-14(23)11-2-4-12(17)5-3-11/h2-5,14H,6-10H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyPEQIEMGNXDCTCQ-CQSZACIVSA-N
MW378.89 g/mol
LogP1.99
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one

(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one (PubChem CID 71592432) has the molecular formula C16H19ClN6OS and a molecular weight of 378.89 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
PubChem CID71592432
Molecular FormulaC16H19ClN6OS
Molecular Weight378.89 g/mol
Exact Mass378.10
IUPAC Name(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
SMILESCN1CCN(c2n[nH]c(N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H19ClN6OS/c1-21-6-8-22(9-7-21)15-18-16(20-19-15)23-13(24)10-25-14(23)11-2-4-12(17)5-3-11/h2-5,14H,6-10H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyPEQIEMGNXDCTCQ-CQSZACIVSA-N
XLogP1.99
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
CID 56593509
(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274539
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
CID 3822396
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
2-(4-chlorophenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 10761913
2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 2987831
(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1274930
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one (CID 71592432) is (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one is CN1CCN(c2n[nH]c(N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one?
The InChIKey is PEQIEMGNXDCTCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19ClN6OS/c1-21-6-8-22(9-7-21)15-18-16(20-19-15)23-13(24)10-25-14(23)11-2-4-12(17)5-3-11/h2-5,14H,6-10H2,1H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one?
(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one has a molecular weight of 378.89 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).