(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone

C12H14N4OS2 — CID 90390609

IUPAC(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESCSc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C12H14N4OS2/c1-18-9-8-10(14-7-13-9)19-11(15-8)12(17)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeySYZXBSRZYGGQGC-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.43
Rot. Bonds2

About (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone

(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone (PubChem CID 90390609) has the molecular formula C12H14N4OS2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone
PubChem CID90390609
Molecular FormulaC12H14N4OS2
Molecular Weight294.40 g/mol
Exact Mass294.06
IUPAC Name(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone
SMILESCSc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C12H14N4OS2/c1-18-9-8-10(14-7-13-9)19-11(15-8)12(17)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeySYZXBSRZYGGQGC-UHFFFAOYSA-N
XLogP2.43
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone (CID 90390609) is (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone is CSc1ncnc2sc(C(=O)N3CCCCC3)nc12.
What is the InChIKey of (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is SYZXBSRZYGGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-18-9-8-10(14-7-13-9)19-11(15-8)12(17)16-5-3-2-4-6-16/h7H,2-6H2,1H3.
What are the key properties of (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone?
(7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 294.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 90390609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).