(4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide

C16H22N4O2S — CID 95296639

IUPAC(4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C16H22N4O2S/c1-2-15(21)20-11-23-10-13(20)16(22)18-14-6-5-12(9-17-14)19-7-3-4-8-19/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,17,18,22)/t13-/m1/s1
InChIKeyDZOGMCQNXASEEL-CYBMUJFWSA-N
MW334.45 g/mol
LogP1.93
Rot. Bonds4

About (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95296639) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95296639
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C16H22N4O2S/c1-2-15(21)20-11-23-10-13(20)16(22)18-14-6-5-12(9-17-14)19-7-3-4-8-19/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,17,18,22)/t13-/m1/s1
InChIKeyDZOGMCQNXASEEL-CYBMUJFWSA-N
XLogP1.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide (CID 95296639) is (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CCCC2)cn1.
What is the InChIKey of (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DZOGMCQNXASEEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-15(21)20-11-23-10-13(20)16(22)18-14-6-5-12(9-17-14)19-7-3-4-8-19/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,17,18,22)/t13-/m1/s1.
What are the key properties of (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-propanoyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95296639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).