(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone

C13H14N4OS2 — CID 47339145

IUPAC(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCSCC1
InChIInChI=1S/C13H14N4OS2/c1-9-10(13(18)17-5-7-19-8-6-17)20-12(16-9)11-14-3-2-4-15-11/h2-4H,5-8H2,1H3
InChIKeyDDFIMRONBWSPSG-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.10
Rot. Bonds2

About (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone

(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 47339145) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID47339145
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC Name(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCSCC1
InChIInChI=1S/C13H14N4OS2/c1-9-10(13(18)17-5-7-19-8-6-17)20-12(16-9)11-14-3-2-4-15-11/h2-4H,5-8H2,1H3
InChIKeyDDFIMRONBWSPSG-UHFFFAOYSA-N
XLogP2.10
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone (CID 47339145) is (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone is Cc1nc(-c2ncccn2)sc1C(=O)N1CCSCC1.
What is the InChIKey of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is DDFIMRONBWSPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c1-9-10(13(18)17-5-7-19-8-6-17)20-12(16-9)11-14-3-2-4-15-11/h2-4H,5-8H2,1H3.
What are the key properties of (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone?
(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 306.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 47339145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).