4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole

C13H15N3O2S3 — CID 2527478

IUPAC4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCc1csc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)n1
InChIInChI=1S/C13H15N3O2S3/c1-10-9-19-13(15-10)20-12-5-4-11(8-14-12)21(17,18)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyDTSBSIYTYRLYTC-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole

4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole (PubChem CID 2527478) has the molecular formula C13H15N3O2S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole
PubChem CID2527478
Molecular FormulaC13H15N3O2S3
Molecular Weight341.48 g/mol
Exact Mass341.03
IUPAC Name4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCc1csc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)n1
InChIInChI=1S/C13H15N3O2S3/c1-10-9-19-13(15-10)20-12-5-4-11(8-14-12)21(17,18)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyDTSBSIYTYRLYTC-UHFFFAOYSA-N
XLogP2.78
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole (CID 2527478) is 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole is Cc1csc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)n1.
What is the InChIKey of 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
The InChIKey is DTSBSIYTYRLYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S3/c1-10-9-19-13(15-10)20-12-5-4-11(8-14-12)21(17,18)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole?
4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole has a molecular weight of 341.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 2527478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).