N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide

C17H17N5O2S — CID 167755754

IUPACN-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2cnc(Nc3ccc(C4CCOC4)cc3)nc2s1
InChIInChI=1S/C17H17N5O2S/c1-10(23)19-17-21-14-8-18-16(22-15(14)25-17)20-13-4-2-11(3-5-13)12-6-7-24-9-12/h2-5,8,12H,6-7,9H2,1H3,(H,18,20,22)(H,19,21,23)
InChIKeyZFLSNHPHFMBPAT-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.29
Rot. Bonds4

About N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide

N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide (PubChem CID 167755754) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
PubChem CID167755754
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2cnc(Nc3ccc(C4CCOC4)cc3)nc2s1
InChIInChI=1S/C17H17N5O2S/c1-10(23)19-17-21-14-8-18-16(22-15(14)25-17)20-13-4-2-11(3-5-13)12-6-7-24-9-12/h2-5,8,12H,6-7,9H2,1H3,(H,18,20,22)(H,19,21,23)
InChIKeyZFLSNHPHFMBPAT-UHFFFAOYSA-N
XLogP3.29
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide 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 N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide (CID 167755754) is N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2cnc(Nc3ccc(C4CCOC4)cc3)nc2s1.
What is the InChIKey of N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
The InChIKey is ZFLSNHPHFMBPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10(23)19-17-21-14-8-18-16(22-15(14)25-17)20-13-4-2-11(3-5-13)12-6-7-24-9-12/h2-5,8,12H,6-7,9H2,1H3,(H,18,20,22)(H,19,21,23).
What are the key properties of N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide?
N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 167755754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).