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

C20H20N4O2S — CID 10045339

IUPAC3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C20H20N4O2S/c21-18(25)7-9-24-11-15(14-5-1-2-6-17(14)24)19(26)16-12-27-20(23-16)13-4-3-8-22-10-13/h1-6,8,10-11,16,20,23H,7,9,12H2,(H2,21,25)/t16-,20?/m0/s1
InChIKeyIZRMTBCSSCYRTF-DJZRFWRSSA-N
MW380.47 g/mol
LogP2.50
Rot. Bonds6

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

3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide (PubChem CID 10045339) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide
PubChem CID10045339
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide
SMILESNC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C20H20N4O2S/c21-18(25)7-9-24-11-15(14-5-1-2-6-17(14)24)19(26)16-12-27-20(23-16)13-4-3-8-22-10-13/h1-6,8,10-11,16,20,23H,7,9,12H2,(H2,21,25)/t16-,20?/m0/s1
InChIKeyIZRMTBCSSCYRTF-DJZRFWRSSA-N
XLogP2.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide (CID 10045339) is 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide is NC(=O)CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide?
The InChIKey is IZRMTBCSSCYRTF-DJZRFWRSSA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-18(25)7-9-24-11-15(14-5-1-2-6-17(14)24)19(26)16-12-27-20(23-16)13-4-3-8-22-10-13/h1-6,8,10-11,16,20,23H,7,9,12H2,(H2,21,25)/t16-,20?/m0/s1.
What are the key properties of 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide?
3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]propanamide is sourced from PubChem (CID 10045339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).