N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine

C21H25N5OS — CID 56666788

IUPACN-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(NCCN4CCOCC4)c3)cs2)c1
InChIInChI=1S/C21H25N5OS/c1-16-3-2-4-18(13-16)24-21-25-19(15-28-21)17-5-6-22-20(14-17)23-7-8-26-9-11-27-12-10-26/h2-6,13-15H,7-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyYYXUDXHMKVBKTP-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.00
Rot. Bonds7

About N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine

N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 56666788) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID56666788
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(NCCN4CCOCC4)c3)cs2)c1
InChIInChI=1S/C21H25N5OS/c1-16-3-2-4-18(13-16)24-21-25-19(15-28-21)17-5-6-22-20(14-17)23-7-8-26-9-11-27-12-10-26/h2-6,13-15H,7-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyYYXUDXHMKVBKTP-UHFFFAOYSA-N
XLogP4.00
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

Cyc-116
CID 6420138
Stf-62247
CID 704473
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
CID 10248401
7-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10319232
5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10476493
3-[2-(2-Ethylpyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928512
6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
CID 45487447

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine (CID 56666788) is N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccnc(NCCN4CCOCC4)c3)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is YYXUDXHMKVBKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-16-3-2-4-18(13-16)24-21-25-19(15-28-21)17-5-6-22-20(14-17)23-7-8-26-9-11-27-12-10-26/h2-6,13-15H,7-12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 395.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56666788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).