4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine

C16H18ClN7S2 — CID 135241274

IUPAC4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine
SMILESCC1(N)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nsnc23)CC1
InChIInChI=1S/C16H18ClN7S2/c1-16(19)3-6-24(7-4-16)15-13-12(22-26-23-13)10(8-21-15)25-9-2-5-20-14(18)11(9)17/h2,5,8H,3-4,6-7,19H2,1H3,(H2,18,20)
InChIKeyYLVYNEQZSPHVBD-UHFFFAOYSA-N
MW407.96 g/mol
LogP3.19
Rot. Bonds3

About 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine

4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine (PubChem CID 135241274) has the molecular formula C16H18ClN7S2 and a molecular weight of 407.96 g/mol. Its IUPAC name is 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine
PubChem CID135241274
Molecular FormulaC16H18ClN7S2
Molecular Weight407.96 g/mol
Exact Mass407.08
IUPAC Name4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine
SMILESCC1(N)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nsnc23)CC1
InChIInChI=1S/C16H18ClN7S2/c1-16(19)3-6-24(7-4-16)15-13-12(22-26-23-13)10(8-21-15)25-9-2-5-20-14(18)11(9)17/h2,5,8H,3-4,6-7,19H2,1H3,(H2,18,20)
InChIKeyYLVYNEQZSPHVBD-UHFFFAOYSA-N
XLogP3.19
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.96
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine with MolForge

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Related Compounds

US10301278, Example 37
CID 118249053
(4R)-8-[8-(6-amino-3-chloro-2-methylpyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334932
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloropyridin-2-amine
CID 134474224
4-[2-(4-Amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146485656
3-Chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
CID 146554211
US10301278, Example 36
CID 118239454
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine
CID 135388992
3-Chloro-4-[5-(2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 138689159
US11179397, Example 45
CID 139427331
(R)-8-(8-((3-chloro-2-(dimethylamino)pyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427498
(R)-8-(8-((3-chloropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427527
US11179397, Example 36
CID 139427576

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine?
The IUPAC name of 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine (CID 135241274) is 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine.
What is the SMILES notation for 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine?
The canonical SMILES for 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine is CC1(N)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nsnc23)CC1.
What is the InChIKey of 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine?
The InChIKey is YLVYNEQZSPHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7S2/c1-16(19)3-6-24(7-4-16)15-13-12(22-26-23-13)10(8-21-15)25-9-2-5-20-14(18)11(9)17/h2,5,8H,3-4,6-7,19H2,1H3,(H2,18,20).
What are the key properties of 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine?
4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine has a molecular weight of 407.96 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-amino-4-methylpiperidin-1-yl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]-3-chloropyridin-2-amine is sourced from PubChem (CID 135241274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).