N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H28ClN7O4S2 — CID 154826510

IUPACN-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(CN)CCN(C2NCC(Sc3cccc(NC(=O)c4c(O)nc5sccn5c4=O)c3Cl)NC2=O)CC1
InChIInChI=1S/C24H28ClN7O4S2/c1-24(12-26)5-7-31(8-6-24)18-21(35)29-15(11-27-18)38-14-4-2-3-13(17(14)25)28-19(33)16-20(34)30-23-32(22(16)36)9-10-37-23/h2-4,9-10,15,18,27,34H,5-8,11-12,26H2,1H3,(H,28,33)(H,29,35)
InChIKeyUWIZIZHUXPOWRK-UHFFFAOYSA-N
MW578.12 g/mol
LogP1.89
Rot. Bonds6

About N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 154826510) has the molecular formula C24H28ClN7O4S2 and a molecular weight of 578.12 g/mol. Its IUPAC name is N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID154826510
Molecular FormulaC24H28ClN7O4S2
Molecular Weight578.12 g/mol
Exact Mass577.13
IUPAC NameN-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1(CN)CCN(C2NCC(Sc3cccc(NC(=O)c4c(O)nc5sccn5c4=O)c3Cl)NC2=O)CC1
InChIInChI=1S/C24H28ClN7O4S2/c1-24(12-26)5-7-31(8-6-24)18-21(35)29-15(11-27-18)38-14-4-2-3-13(17(14)25)28-19(33)16-20(34)30-23-32(22(16)36)9-10-37-23/h2-4,9-10,15,18,27,34H,5-8,11-12,26H2,1H3,(H,28,33)(H,29,35)
InChIKeyUWIZIZHUXPOWRK-UHFFFAOYSA-N
XLogP1.89
TPSA154.09 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.12
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-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 N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 154826510) is N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1(CN)CCN(C2NCC(Sc3cccc(NC(=O)c4c(O)nc5sccn5c4=O)c3Cl)NC2=O)CC1.
What is the InChIKey of N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UWIZIZHUXPOWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O4S2/c1-24(12-26)5-7-31(8-6-24)18-21(35)29-15(11-27-18)38-14-4-2-3-13(17(14)25)28-19(33)16-20(34)30-23-32(22(16)36)9-10-37-23/h2-4,9-10,15,18,27,34H,5-8,11-12,26H2,1H3,(H,28,33)(H,29,35).
What are the key properties of N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 578.12 g/mol, XLogP of 1.89, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 154826510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).