[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone

C23H30N4OS — CID 10692940

IUPAC[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
SMILESCC1(c2cccnc2)N[C@H](C(=O)N2CCN(CCCc3ccccc3)CC2)CS1
InChIInChI=1S/C23H30N4OS/c1-23(20-10-5-11-24-17-20)25-21(18-29-23)22(28)27-15-13-26(14-16-27)12-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-11,17,21,25H,6,9,12-16,18H2,1H3/t21-,23?/m0/s1
InChIKeyFNIVUAQCNSWNRN-BBQAJUCSSA-N
MW410.59 g/mol
LogP2.74
Rot. Bonds6

About [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone

[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone (PubChem CID 10692940) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
PubChem CID10692940
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
SMILESCC1(c2cccnc2)N[C@H](C(=O)N2CCN(CCCc3ccccc3)CC2)CS1
InChIInChI=1S/C23H30N4OS/c1-23(20-10-5-11-24-17-20)25-21(18-29-23)22(28)27-15-13-26(14-16-27)12-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-11,17,21,25H,6,9,12-16,18H2,1H3/t21-,23?/m0/s1
InChIKeyFNIVUAQCNSWNRN-BBQAJUCSSA-N
XLogP2.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-methyl-4-[4-(3-phenylpropyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70763389
[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 10499664
[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 10551369
N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-2-methyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 57035847
[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 14881723
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
(3S)-3-[4-(2-phenylethyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 95986453
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 80500608
N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360822

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone (CID 10692940) is [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone is CC1(c2cccnc2)N[C@H](C(=O)N2CCN(CCCc3ccccc3)CC2)CS1.
What is the InChIKey of [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The InChIKey is FNIVUAQCNSWNRN-BBQAJUCSSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-23(20-10-5-11-24-17-20)25-21(18-29-23)22(28)27-15-13-26(14-16-27)12-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-11,17,21,25H,6,9,12-16,18H2,1H3/t21-,23?/m0/s1.
What are the key properties of [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone has a molecular weight of 410.59 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 10692940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).