7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine

C39H42Cl2N12O2S3 — CID 157180341

IUPAC7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine
SMILESCSc1nc2ncc(C#N)c(Nc3cccc(Cl)c3)c2s1.N#Cc1cnc2nc(NCCN3CCOCC3)sc2c1Nc1cccc(Cl)c1.NCCN1CCOCC1
InChIInChI=1S/C19H19ClN6OS.C14H9ClN4S2.C6H14N2O/c20-14-2-1-3-15(10-14)24-16-13(11-21)12-23-18-17(16)28-19(25-18)22-4-5-26-6-8-27-9-7-26;1-20-14-19-13-12(21-14)11(8(6-16)7-17-13)18-10-4-2-3-9(15)5-10;7-1-2-8-3-5-9-6-4-8/h1-3,10,12H,4-9H2,(H2,22,23,24,25);2-5,7H,1H3,(H,17,18);1-7H2
InChIKeyAOMPFWSZPJRILN-UHFFFAOYSA-N
MW877.95 g/mol
LogP7.66
Rot. Bonds11

About 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine

7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine (PubChem CID 157180341) has the molecular formula C39H42Cl2N12O2S3 and a molecular weight of 877.95 g/mol. Its IUPAC name is 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine
PubChem CID157180341
Molecular FormulaC39H42Cl2N12O2S3
Molecular Weight877.95 g/mol
Exact Mass876.21
IUPAC Name7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine
SMILESCSc1nc2ncc(C#N)c(Nc3cccc(Cl)c3)c2s1.N#Cc1cnc2nc(NCCN3CCOCC3)sc2c1Nc1cccc(Cl)c1.NCCN1CCOCC1
InChIInChI=1S/C19H19ClN6OS.C14H9ClN4S2.C6H14N2O/c20-14-2-1-3-15(10-14)24-16-13(11-21)12-23-18-17(16)28-19(25-18)22-4-5-26-6-8-27-9-7-26;1-20-14-19-13-12(21-14)11(8(6-16)7-17-13)18-10-4-2-3-9(15)5-10;7-1-2-8-3-5-9-6-4-8/h1-3,10,12H,4-9H2,(H2,22,23,24,25);2-5,7H,1H3,(H,17,18);1-7H2
InChIKeyAOMPFWSZPJRILN-UHFFFAOYSA-N
XLogP7.66
TPSA186.19 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.95
LogP ≤ 57.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine with MolForge

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Related Compounds

7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;4-(morpholin-4-ylmethyl)aniline
CID 159501961
7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 143408006
6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
CID 110172152
7-(2-chloro-5-methoxyanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 58612183
4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
CID 69257421
4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
CID 69181974
6-(3-chloro-4-fluoroanilino)-2-(3-morpholin-4-ylpropylamino)-[1,3]thiazolo[4,5-b]pyridine-5-carbonitrile
CID 102467411
2-[4-[[bis(2-methoxyethyl)amino]methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-[4-[(dimethylamino)methyl]anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-[4-[(2-ethylimidazol-1-yl)methyl]anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloro-4-fluoroanilino)-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 160639778
7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 58612227
2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 939231
2-[4-[(dimethylamino)methyl]anilino]-7-(4-fluoro-3-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 89099310
2-[[6-(2-aminoethylamino)-3-pyridinyl]amino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-[4-[(4-aminopiperidin-1-yl)methyl]anilino]-7-(3-chloro-4-fluoroanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(6-bromo-1,3-benzodioxol-4-yl)amino]-2-[4-(morpholin-4-ylmethyl)anilino]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-(4-methylanilino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 159340992

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine?
The IUPAC name of 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine (CID 157180341) is 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine.
What is the SMILES notation for 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine?
The canonical SMILES for 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine is CSc1nc2ncc(C#N)c(Nc3cccc(Cl)c3)c2s1.N#Cc1cnc2nc(NCCN3CCOCC3)sc2c1Nc1cccc(Cl)c1.NCCN1CCOCC1.
What is the InChIKey of 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine?
The InChIKey is AOMPFWSZPJRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6OS.C14H9ClN4S2.C6H14N2O/c20-14-2-1-3-15(10-14)24-16-13(11-21)12-23-18-17(16)28-19(25-18)22-4-5-26-6-8-27-9-7-26;1-20-14-19-13-12(21-14)11(8(6-16)7-17-13)18-10-4-2-3-9(15)5-10;7-1-2-8-3-5-9-6-4-8/h1-3,10,12H,4-9H2,(H2,22,23,24,25);2-5,7H,1H3,(H,17,18);1-7H2.
What are the key properties of 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine?
7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine has a molecular weight of 877.95 g/mol, XLogP of 7.66, 11 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine is sourced from PubChem (CID 157180341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).