5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C23H22N4O2S2 — CID 157443972

IUPAC5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3sc(N4CCC[C@@H]4C(=O)CCc4ccccc4)nc3c(=O)[nH]2)s1
InChIInChI=1S/C23H22N4O2S2/c1-14-9-12-18(30-14)20-25-21(29)19-22(26-20)31-23(24-19)27-13-5-8-16(27)17(28)11-10-15-6-3-2-4-7-15/h2-4,6-7,9,12,16H,5,8,10-11,13H2,1H3,(H,25,26,29)/t16-/m1/s1
InChIKeyBRZSZDRMYQHPRL-MRXNPFEDSA-N
MW450.59 g/mol
LogP4.59
Rot. Bonds6

About 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 157443972) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID157443972
Molecular FormulaC23H22N4O2S2
Molecular Weight450.59 g/mol
Exact Mass450.12
IUPAC Name5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1ccc(-c2nc3sc(N4CCC[C@@H]4C(=O)CCc4ccccc4)nc3c(=O)[nH]2)s1
InChIInChI=1S/C23H22N4O2S2/c1-14-9-12-18(30-14)20-25-21(29)19-22(26-20)31-23(24-19)27-13-5-8-16(27)17(28)11-10-15-6-3-2-4-7-15/h2-4,6-7,9,12,16H,5,8,10-11,13H2,1H3,(H,25,26,29)/t16-/m1/s1
InChIKeyBRZSZDRMYQHPRL-MRXNPFEDSA-N
XLogP4.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 157443972) is 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1ccc(-c2nc3sc(N4CCC[C@@H]4C(=O)CCc4ccccc4)nc3c(=O)[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is BRZSZDRMYQHPRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-14-9-12-18(30-14)20-25-21(29)19-22(26-20)31-23(24-19)27-13-5-8-16(27)17(28)11-10-15-6-3-2-4-7-15/h2-4,6-7,9,12,16H,5,8,10-11,13H2,1H3,(H,25,26,29)/t16-/m1/s1.
What are the key properties of 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 450.59 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 157443972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).