(2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone

C14H14N2OS3 — CID 99985677

IUPAC(2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone
SMILESCSc1ncccc1C(=O)N1CCS[C@H]1c1ccsc1
InChIInChI=1S/C14H14N2OS3/c1-18-12-11(3-2-5-15-12)13(17)16-6-8-20-14(16)10-4-7-19-9-10/h2-5,7,9,14H,6,8H2,1H3/t14-/m0/s1
InChIKeyBNIFSQOCIZQFPO-AWEZNQCLSA-N
MW322.48 g/mol
LogP3.75
Rot. Bonds3

About (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone

(2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone (PubChem CID 99985677) has the molecular formula C14H14N2OS3 and a molecular weight of 322.48 g/mol. Its IUPAC name is (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone
PubChem CID99985677
Molecular FormulaC14H14N2OS3
Molecular Weight322.48 g/mol
Exact Mass322.03
IUPAC Name(2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone
SMILESCSc1ncccc1C(=O)N1CCS[C@H]1c1ccsc1
InChIInChI=1S/C14H14N2OS3/c1-18-12-11(3-2-5-15-12)13(17)16-6-8-20-14(16)10-4-7-19-9-10/h2-5,7,9,14H,6,8H2,1H3/t14-/m0/s1
InChIKeyBNIFSQOCIZQFPO-AWEZNQCLSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone (CID 99985677) is (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone is CSc1ncccc1C(=O)N1CCS[C@H]1c1ccsc1.
What is the InChIKey of (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
The InChIKey is BNIFSQOCIZQFPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N2OS3/c1-18-12-11(3-2-5-15-12)13(17)16-6-8-20-14(16)10-4-7-19-9-10/h2-5,7,9,14H,6,8H2,1H3/t14-/m0/s1.
What are the key properties of (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone?
(2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone has a molecular weight of 322.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-pyridinyl)-[(2S)-2-thiophen-3-yl-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 99985677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).