7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H13N5O2S2 — CID 51112543

IUPAC7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(NCc3ccc(-c4csc(C)n4)o3)sc2n1
InChIInChI=1S/C15H13N5O2S2/c1-8-5-13(21)20-15(17-8)24-14(19-20)16-6-10-3-4-12(22-10)11-7-23-9(2)18-11/h3-5,7H,6H2,1-2H3,(H,16,19)
InChIKeyUAKRYHSGTMSAIL-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.10
Rot. Bonds4

About 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51112543) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID51112543
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(NCc3ccc(-c4csc(C)n4)o3)sc2n1
InChIInChI=1S/C15H13N5O2S2/c1-8-5-13(21)20-15(17-8)24-14(19-20)16-6-10-3-4-12(22-10)11-7-23-9(2)18-11/h3-5,7H,6H2,1-2H3,(H,16,19)
InChIKeyUAKRYHSGTMSAIL-UHFFFAOYSA-N
XLogP3.10
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 51112543) is 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(NCc3ccc(-c4csc(C)n4)o3)sc2n1.
What is the InChIKey of 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UAKRYHSGTMSAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-8-5-13(21)20-15(17-8)24-14(19-20)16-6-10-3-4-12(22-10)11-7-23-9(2)18-11/h3-5,7H,6H2,1-2H3,(H,16,19).
What are the key properties of 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 359.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51112543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).