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

C20H20ClN5O2S2 — CID 118424768

IUPAC(5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2sc3c(-c4ccc(C5CC5)nc4)nccc3c2Cl)CS1(=O)=O
InChIInChI=1S/C20H20ClN5O2S2/c1-20(10-30(27,28)26(2)19(22)25-20)18-15(21)13-7-8-23-16(17(13)29-18)12-5-6-14(24-9-12)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H2,22,25)/t20-/m0/s1
InChIKeyNELPKQXZEKWLDZ-FQEVSTJZSA-N
MW462.00 g/mol
LogP3.69
Rot. Bonds3

About (5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)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-(6-cyclopropyl-3-pyridinyl)thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 118424768) has the molecular formula C20H20ClN5O2S2 and a molecular weight of 462.00 g/mol. Its IUPAC name is (5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)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-(6-cyclopropyl-3-pyridinyl)thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID118424768
Molecular FormulaC20H20ClN5O2S2
Molecular Weight462.00 g/mol
Exact Mass461.07
IUPAC Name(5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2sc3c(-c4ccc(C5CC5)nc4)nccc3c2Cl)CS1(=O)=O
InChIInChI=1S/C20H20ClN5O2S2/c1-20(10-30(27,28)26(2)19(22)25-20)18-15(21)13-7-8-23-16(17(13)29-18)12-5-6-14(24-9-12)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H2,22,25)/t20-/m0/s1
InChIKeyNELPKQXZEKWLDZ-FQEVSTJZSA-N
XLogP3.69
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)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-(6-cyclopropyl-3-pyridinyl)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-(6-cyclopropyl-3-pyridinyl)thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 118424768) is (5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)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-(6-cyclopropyl-3-pyridinyl)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-(6-cyclopropyl-3-pyridinyl)thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2sc3c(-c4ccc(C5CC5)nc4)nccc3c2Cl)CS1(=O)=O.
What is the InChIKey of (5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)thieno[2,3-c]pyridin-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is NELPKQXZEKWLDZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20ClN5O2S2/c1-20(10-30(27,28)26(2)19(22)25-20)18-15(21)13-7-8-23-16(17(13)29-18)12-5-6-14(24-9-12)11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H2,22,25)/t20-/m0/s1.
What are the key properties of (5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)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-(6-cyclopropyl-3-pyridinyl)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 462.00 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-chloro-7-(6-cyclopropyl-3-pyridinyl)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 118424768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).