N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide

C20H20N4O2S — CID 57303606

IUPACN,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)C2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-23(2)20(26)24-11-15(14-7-3-4-8-17(14)24)18(25)16-12-27-19(22-16)13-6-5-9-21-10-13/h3-11,16,19,22H,12H2,1-2H3
InChIKeyCZRZQPDXGBNRCC-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.15
Rot. Bonds3

About N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide

N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide (PubChem CID 57303606) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide
PubChem CID57303606
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)C2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-23(2)20(26)24-11-15(14-7-3-4-8-17(14)24)18(25)16-12-27-19(22-16)13-6-5-9-21-10-13/h3-11,16,19,22H,12H2,1-2H3
InChIKeyCZRZQPDXGBNRCC-UHFFFAOYSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide (CID 57303606) is N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide is CN(C)C(=O)n1cc(C(=O)C2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide?
The InChIKey is CZRZQPDXGBNRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-23(2)20(26)24-11-15(14-7-3-4-8-17(14)24)18(25)16-12-27-19(22-16)13-6-5-9-21-10-13/h3-11,16,19,22H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide?
N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide is sourced from PubChem (CID 57303606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).