(R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide

C11H14N4OS2 — CID 124927885

IUPAC(R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide
SMILESCc1nc(NCCc2ccncc2)sc1[S@](N)=O
InChIInChI=1S/C11H14N4OS2/c1-8-10(18(12)16)17-11(15-8)14-7-4-9-2-5-13-6-3-9/h2-3,5-6H,4,7,12H2,1H3,(H,14,15)/t18-/m1/s1
InChIKeyUNMHQXNZSSVECK-GOSISDBHSA-N
MW282.39 g/mol
LogP1.48
Rot. Bonds5

About (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide

(R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide (PubChem CID 124927885) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide.

Molecular Properties

Compound Name(R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide
PubChem CID124927885
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name(R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide
SMILESCc1nc(NCCc2ccncc2)sc1[S@](N)=O
InChIInChI=1S/C11H14N4OS2/c1-8-10(18(12)16)17-11(15-8)14-7-4-9-2-5-13-6-3-9/h2-3,5-6H,4,7,12H2,1H3,(H,14,15)/t18-/m1/s1
InChIKeyUNMHQXNZSSVECK-GOSISDBHSA-N
XLogP1.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide?
The IUPAC name of (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide (CID 124927885) is (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide.
What is the SMILES notation for (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide?
The canonical SMILES for (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide is Cc1nc(NCCc2ccncc2)sc1[S@](N)=O.
What is the InChIKey of (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide?
The InChIKey is UNMHQXNZSSVECK-GOSISDBHSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-8-10(18(12)16)17-11(15-8)14-7-4-9-2-5-13-6-3-9/h2-3,5-6H,4,7,12H2,1H3,(H,14,15)/t18-/m1/s1.
What are the key properties of (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide?
(R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide has a molecular weight of 282.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-4-methyl-2-(2-pyridin-4-ylethylamino)-1,3-thiazole-5-sulfinamide is sourced from PubChem (CID 124927885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).