4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

C17H19N7O2S — CID 71572646

IUPAC4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cc1
InChIInChI=1S/C17H19N7O2S/c1-26-12-4-2-11(3-5-12)20-17(25)24-8-6-23(7-9-24)14-13-15(27-10-19-13)22-16(18)21-14/h2-5,10H,6-9H2,1H3,(H,20,25)(H2,18,21,22)
InChIKeyPFSGRYSHTMXMAJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.03
Rot. Bonds3

About 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 71572646) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID71572646
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cc1
InChIInChI=1S/C17H19N7O2S/c1-26-12-4-2-11(3-5-12)20-17(25)24-8-6-23(7-9-24)14-13-15(27-10-19-13)22-16(18)21-14/h2-5,10H,6-9H2,1H3,(H,20,25)(H2,18,21,22)
InChIKeyPFSGRYSHTMXMAJ-UHFFFAOYSA-N
XLogP2.03
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide 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 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 71572646) is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cc1.
What is the InChIKey of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PFSGRYSHTMXMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c1-26-12-4-2-11(3-5-12)20-17(25)24-8-6-23(7-9-24)14-13-15(27-10-19-13)22-16(18)21-14/h2-5,10H,6-9H2,1H3,(H,20,25)(H2,18,21,22).
What are the key properties of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 71572646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).