(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

C11H12N6OS — CID 121187299

IUPAC(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C11H12N6OS/c1-7-9(19-16-15-7)10(18)17-5-8(6-17)14-11-12-3-2-4-13-11/h2-4,8H,5-6H2,1H3,(H,12,13,14)
InChIKeyPJUORWNVNMRYJY-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.57
Rot. Bonds3

About (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (PubChem CID 121187299) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
PubChem CID121187299
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C11H12N6OS/c1-7-9(19-16-15-7)10(18)17-5-8(6-17)14-11-12-3-2-4-13-11/h2-4,8H,5-6H2,1H3,(H,12,13,14)
InChIKeyPJUORWNVNMRYJY-UHFFFAOYSA-N
XLogP0.57
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone (CID 121187299) is (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is Cc1nnsc1C(=O)N1CC(Nc2ncccn2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
The InChIKey is PJUORWNVNMRYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-7-9(19-16-15-7)10(18)17-5-8(6-17)14-11-12-3-2-4-13-11/h2-4,8H,5-6H2,1H3,(H,12,13,14).
What are the key properties of (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone has a molecular weight of 276.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 121187299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).