4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole

C14H12N4O2S2 — CID 75471583

IUPAC4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1cnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)nc1
InChIInChI=1S/C14H12N4O2S2/c1-10-6-16-14(17-7-10)22(19,20)9-11-8-21-13(18-11)12-4-2-3-5-15-12/h2-8H,9H2,1H3
InChIKeyYRPLRUYWIIUBKI-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.28
Rot. Bonds4

About 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole

4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 75471583) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID75471583
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC Name4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1cnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)nc1
InChIInChI=1S/C14H12N4O2S2/c1-10-6-16-14(17-7-10)22(19,20)9-11-8-21-13(18-11)12-4-2-3-5-15-12/h2-8H,9H2,1H3
InChIKeyYRPLRUYWIIUBKI-UHFFFAOYSA-N
XLogP2.28
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole (CID 75471583) is 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole is Cc1cnc(S(=O)(=O)Cc2csc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is YRPLRUYWIIUBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-10-6-16-14(17-7-10)22(19,20)9-11-8-21-13(18-11)12-4-2-3-5-15-12/h2-8H,9H2,1H3.
What are the key properties of 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole?
4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 332.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 75471583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).