methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate

C19H17N3O3S — CID 10338961

IUPACmethyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate
SMILESCOC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)22-10-14(13-6-2-3-7-16(13)22)17(23)15-11-26-18(21-15)12-5-4-8-20-9-12/h2-10,15,18,21H,11H2,1H3/t15-,18?/m0/s1
InChIKeyALLSUGWAFKQBQJ-BUSXIPJBSA-N
MW367.43 g/mol
LogP3.24
Rot. Bonds3

About methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate

methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate (PubChem CID 10338961) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate
PubChem CID10338961
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Namemethyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate
SMILESCOC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H17N3O3S/c1-25-19(24)22-10-14(13-6-2-3-7-16(13)22)17(23)15-11-26-18(21-15)12-5-4-8-20-9-12/h2-10,15,18,21H,11H2,1H3/t15-,18?/m0/s1
InChIKeyALLSUGWAFKQBQJ-BUSXIPJBSA-N
XLogP3.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?
The IUPAC name of methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate (CID 10338961) is methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate.
What is the SMILES notation for methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?
The canonical SMILES for methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate is COC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?
The InChIKey is ALLSUGWAFKQBQJ-BUSXIPJBSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-19(24)22-10-14(13-6-2-3-7-16(13)22)17(23)15-11-26-18(21-15)12-5-4-8-20-9-12/h2-10,15,18,21H,11H2,1H3/t15-,18?/m0/s1.
What are the key properties of methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?
methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate is sourced from PubChem (CID 10338961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).