[1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C24H18ClN3O2S — CID 10478813

IUPAC[1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C24H18ClN3O2S/c25-17-9-7-15(8-10-17)24(30)28-13-19(18-5-1-2-6-21(18)28)22(29)20-14-31-23(27-20)16-4-3-11-26-12-16/h1-13,20,23,27H,14H2/t20-,23?/m0/s1
InChIKeySWJNPQAXPDRSOX-AJZOCDQUSA-N
MW447.95 g/mol
LogP4.96
Rot. Bonds4

About [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

[1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10478813) has the molecular formula C24H18ClN3O2S and a molecular weight of 447.95 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10478813
Molecular FormulaC24H18ClN3O2S
Molecular Weight447.95 g/mol
Exact Mass447.08
IUPAC Name[1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C24H18ClN3O2S/c25-17-9-7-15(8-10-17)24(30)28-13-19(18-5-1-2-6-21(18)28)22(29)20-14-31-23(27-20)16-4-3-11-26-12-16/h1-13,20,23,27H,14H2/t20-,23?/m0/s1
InChIKeySWJNPQAXPDRSOX-AJZOCDQUSA-N
XLogP4.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10478813) is [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C(c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is SWJNPQAXPDRSOX-AJZOCDQUSA-N. The full InChI is InChI=1S/C24H18ClN3O2S/c25-17-9-7-15(8-10-17)24(30)28-13-19(18-5-1-2-6-21(18)28)22(29)20-14-31-23(27-20)16-4-3-11-26-12-16/h1-13,20,23,27H,14H2/t20-,23?/m0/s1.
What are the key properties of [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
[1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 447.95 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10478813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).