(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C16H23N3O3S — CID 95302461

IUPAC(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(OC(C)C)nc1
InChIInChI=1S/C16H23N3O3S/c1-5-18(4)16(21)13-9-23-10-19(13)15(20)12-6-7-14(17-8-12)22-11(2)3/h6-8,11,13H,5,9-10H2,1-4H3/t13-/m0/s1
InChIKeyCKWSAPMSWIYQKR-ZDUSSCGKSA-N
MW337.45 g/mol
LogP1.86
Rot. Bonds5

About (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95302461) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95302461
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(OC(C)C)nc1
InChIInChI=1S/C16H23N3O3S/c1-5-18(4)16(21)13-9-23-10-19(13)15(20)12-6-7-14(17-8-12)22-11(2)3/h6-8,11,13H,5,9-10H2,1-4H3/t13-/m0/s1
InChIKeyCKWSAPMSWIYQKR-ZDUSSCGKSA-N
XLogP1.86
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95302461) is (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(OC(C)C)nc1.
What is the InChIKey of (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CKWSAPMSWIYQKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-5-18(4)16(21)13-9-23-10-19(13)15(20)12-6-7-14(17-8-12)22-11(2)3/h6-8,11,13H,5,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-ethyl-N-methyl-3-(6-propan-2-yloxypyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95302461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).