1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone

C12H13N5OS — CID 118739882

IUPAC1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2ccnc(Nc3nccs3)n2)C1
InChIInChI=1S/C12H13N5OS/c1-8(18)17-6-9(7-17)10-2-3-13-11(15-10)16-12-14-4-5-19-12/h2-5,9H,6-7H2,1H3,(H,13,14,15,16)
InChIKeyMEMVTVRFIREJMP-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.62
Rot. Bonds3

About 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone

1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone (PubChem CID 118739882) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
PubChem CID118739882
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2ccnc(Nc3nccs3)n2)C1
InChIInChI=1S/C12H13N5OS/c1-8(18)17-6-9(7-17)10-2-3-13-11(15-10)16-12-14-4-5-19-12/h2-5,9H,6-7H2,1H3,(H,13,14,15,16)
InChIKeyMEMVTVRFIREJMP-UHFFFAOYSA-N
XLogP1.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone (CID 118739882) is 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone is CC(=O)N1CC(c2ccnc(Nc3nccs3)n2)C1.
What is the InChIKey of 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
The InChIKey is MEMVTVRFIREJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-8(18)17-6-9(7-17)10-2-3-13-11(15-10)16-12-14-4-5-19-12/h2-5,9H,6-7H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone?
1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone has a molecular weight of 275.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 118739882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).