6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

C20H19FN4O2S — CID 10475985

IUPAC6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN4O2S/c1-24(2)20(27)25-10-15(14-6-5-13(21)8-17(14)25)18(26)16-11-28-19(23-16)12-4-3-7-22-9-12/h3-10,16,19,23H,11H2,1-2H3/t16-,19?/m0/s1
InChIKeySZVLRTNGEYQGMF-UCFFOFKASA-N
MW398.46 g/mol
LogP3.29
Rot. Bonds3

About 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10475985) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10475985
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(F)cc21
InChIInChI=1S/C20H19FN4O2S/c1-24(2)20(27)25-10-15(14-6-5-13(21)8-17(14)25)18(26)16-11-28-19(23-16)12-4-3-7-22-9-12/h3-10,16,19,23H,11H2,1-2H3/t16-,19?/m0/s1
InChIKeySZVLRTNGEYQGMF-UCFFOFKASA-N
XLogP3.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10475985) is 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is SZVLRTNGEYQGMF-UCFFOFKASA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-24(2)20(27)25-10-15(14-6-5-13(21)8-17(14)25)18(26)16-11-28-19(23-16)12-4-3-7-22-9-12/h3-10,16,19,23H,11H2,1-2H3/t16-,19?/m0/s1.
What are the key properties of 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10475985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).