N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide

C21H22N4O2S — CID 10363235

IUPACN-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H22N4O2S/c1-14(26)23-9-10-25-12-17(16-6-2-3-7-19(16)25)20(27)18-13-28-21(24-18)15-5-4-8-22-11-15/h2-8,11-12,18,21,24H,9-10,13H2,1H3,(H,23,26)/t18-,21?/m0/s1
InChIKeyQBXHOCGQRAASTG-YMXDCFFPSA-N
MW394.50 g/mol
LogP2.76
Rot. Bonds6

About N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide

N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide (PubChem CID 10363235) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide
PubChem CID10363235
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H22N4O2S/c1-14(26)23-9-10-25-12-17(16-6-2-3-7-19(16)25)20(27)18-13-28-21(24-18)15-5-4-8-22-11-15/h2-8,11-12,18,21,24H,9-10,13H2,1H3,(H,23,26)/t18-,21?/m0/s1
InChIKeyQBXHOCGQRAASTG-YMXDCFFPSA-N
XLogP2.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide (CID 10363235) is N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide is CC(=O)NCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide?
The InChIKey is QBXHOCGQRAASTG-YMXDCFFPSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14(26)23-9-10-25-12-17(16-6-2-3-7-19(16)25)20(27)18-13-28-21(24-18)15-5-4-8-22-11-15/h2-8,11-12,18,21,24H,9-10,13H2,1H3,(H,23,26)/t18-,21?/m0/s1.
What are the key properties of N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide?
N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]ethyl]acetamide is sourced from PubChem (CID 10363235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).