(5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C19H23ClN8O3S2 — CID 118424792

IUPAC(5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1nonc1N1CCN(c2nccc3c(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)sc23)CC1
InChIInChI=1S/C19H23ClN8O3S2/c1-11-16(25-31-24-11)27-6-8-28(9-7-27)17-14-12(4-5-22-17)13(20)15(32-14)19(2)10-33(29,30)26(3)18(21)23-19/h4-5H,6-10H2,1-3H3,(H2,21,23)/t19-/m0/s1
InChIKeyLPASGRSCSBQHPG-IBGZPJMESA-N
MW511.03 g/mol
LogP1.77
Rot. Bonds3

About (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

(5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 118424792) has the molecular formula C19H23ClN8O3S2 and a molecular weight of 511.03 g/mol. Its IUPAC name is (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID118424792
Molecular FormulaC19H23ClN8O3S2
Molecular Weight511.03 g/mol
Exact Mass510.10
IUPAC Name(5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCc1nonc1N1CCN(c2nccc3c(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)sc23)CC1
InChIInChI=1S/C19H23ClN8O3S2/c1-11-16(25-31-24-11)27-6-8-28(9-7-27)17-14-12(4-5-22-17)13(20)15(32-14)19(2)10-33(29,30)26(3)18(21)23-19/h4-5H,6-10H2,1-3H3,(H2,21,23)/t19-/m0/s1
InChIKeyLPASGRSCSBQHPG-IBGZPJMESA-N
XLogP1.77
TPSA134.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.03
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine 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 (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 118424792) is (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is Cc1nonc1N1CCN(c2nccc3c(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)sc23)CC1.
What is the InChIKey of (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is LPASGRSCSBQHPG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23ClN8O3S2/c1-11-16(25-31-24-11)27-6-8-28(9-7-27)17-14-12(4-5-22-17)13(20)15(32-14)19(2)10-33(29,30)26(3)18(21)23-19/h4-5H,6-10H2,1-3H3,(H2,21,23)/t19-/m0/s1.
What are the key properties of (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 511.03 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-chloro-7-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 118424792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).