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

C21H22N4O2S — CID 10092032

IUPACN,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H22N4O2S/c1-24(2)19(26)12-25-11-16(15-7-3-4-8-18(15)25)20(27)17-13-28-21(23-17)14-6-5-9-22-10-14/h3-11,17,21,23H,12-13H2,1-2H3/t17-,21?/m0/s1
InChIKeyVNFCLRHXKBVXLN-PBVYKCSPSA-N
MW394.50 g/mol
LogP2.71
Rot. Bonds5

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

N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide (PubChem CID 10092032) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide
PubChem CID10092032
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C21H22N4O2S/c1-24(2)19(26)12-25-11-16(15-7-3-4-8-18(15)25)20(27)17-13-28-21(23-17)14-6-5-9-22-10-14/h3-11,17,21,23H,12-13H2,1-2H3/t17-,21?/m0/s1
InChIKeyVNFCLRHXKBVXLN-PBVYKCSPSA-N
XLogP2.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide (CID 10092032) is N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide is CN(C)C(=O)Cn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide?
The InChIKey is VNFCLRHXKBVXLN-PBVYKCSPSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-24(2)19(26)12-25-11-16(15-7-3-4-8-18(15)25)20(27)17-13-28-21(23-17)14-6-5-9-22-10-14/h3-11,17,21,23H,12-13H2,1-2H3/t17-,21?/m0/s1.
What are the key properties of N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide?
N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetamide is sourced from PubChem (CID 10092032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).