7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H19N3OS3 — CID 49247868

IUPAC7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3csc(C4CCCC4)n3)cc(=O)n12
InChIInChI=1S/C17H19N3OS3/c1-11-7-24-17-19-13(6-15(21)20(11)17)8-22-9-14-10-23-16(18-14)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyRDOKFDAGRBYLEB-UHFFFAOYSA-N
MW377.56 g/mol
LogP4.61
Rot. Bonds5

About 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 49247868) has the molecular formula C17H19N3OS3 and a molecular weight of 377.56 g/mol. Its IUPAC name is 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID49247868
Molecular FormulaC17H19N3OS3
Molecular Weight377.56 g/mol
Exact Mass377.07
IUPAC Name7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSCc3csc(C4CCCC4)n3)cc(=O)n12
InChIInChI=1S/C17H19N3OS3/c1-11-7-24-17-19-13(6-15(21)20(11)17)8-22-9-14-10-23-16(18-14)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyRDOKFDAGRBYLEB-UHFFFAOYSA-N
XLogP4.61
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 49247868) is 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CSCc3csc(C4CCCC4)n3)cc(=O)n12.
What is the InChIKey of 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RDOKFDAGRBYLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS3/c1-11-7-24-17-19-13(6-15(21)20(11)17)8-22-9-14-10-23-16(18-14)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 377.56 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 49247868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).