(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide

C17H23N3O3S — CID 95337207

IUPAC(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1nc(C)ccc1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1
InChIInChI=1S/C17H23N3O3S/c1-11-6-7-13(16(19-11)23-2)8-18-15(21)14-9-24-10-20(14)17(22)12-4-3-5-12/h6-7,12,14H,3-5,8-10H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyBXZGTXSVRQSQMK-CQSZACIVSA-N
MW349.46 g/mol
LogP1.72
Rot. Bonds5

About (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95337207) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95337207
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1nc(C)ccc1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1
InChIInChI=1S/C17H23N3O3S/c1-11-6-7-13(16(19-11)23-2)8-18-15(21)14-9-24-10-20(14)17(22)12-4-3-5-12/h6-7,12,14H,3-5,8-10H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyBXZGTXSVRQSQMK-CQSZACIVSA-N
XLogP1.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 95337207) is (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide is COc1nc(C)ccc1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1.
What is the InChIKey of (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is BXZGTXSVRQSQMK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-6-7-13(16(19-11)23-2)8-18-15(21)14-9-24-10-20(14)17(22)12-4-3-5-12/h6-7,12,14H,3-5,8-10H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95337207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).