(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

C16H18ClN3OS — CID 70775068

IUPAC(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1
InChIInChI=1S/C16H18ClN3OS/c1-19-9-22-8-14(19)16(21)20-6-5-13-11(7-20)10-3-2-4-12(17)15(10)18-13/h2-4,14,18H,5-9H2,1H3/t14-/m0/s1
InChIKeyIISWKUJWEPUABA-AWEZNQCLSA-N
MW335.86 g/mol
LogP2.71
Rot. Bonds1

About (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (PubChem CID 70775068) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
PubChem CID70775068
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1
InChIInChI=1S/C16H18ClN3OS/c1-19-9-22-8-14(19)16(21)20-6-5-13-11(7-20)10-3-2-4-12(17)15(10)18-13/h2-4,14,18H,5-9H2,1H3/t14-/m0/s1
InChIKeyIISWKUJWEPUABA-AWEZNQCLSA-N
XLogP2.71
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (CID 70775068) is (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is CN1CSC[C@H]1C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1.
What is the InChIKey of (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is IISWKUJWEPUABA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-19-9-22-8-14(19)16(21)20-6-5-13-11(7-20)10-3-2-4-12(17)15(10)18-13/h2-4,14,18H,5-9H2,1H3/t14-/m0/s1.
What are the key properties of (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 335.86 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 70775068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).