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

C21H25N5OS — CID 56662649

IUPACN-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccncc3NCCN3CCOCC3)cs2)c1
InChIInChI=1S/C21H25N5OS/c1-16-3-2-4-17(13-16)24-21-25-20(15-28-21)18-5-6-22-14-19(18)23-7-8-26-9-11-27-12-10-26/h2-6,13-15,23H,7-12H2,1H3,(H,24,25)
InChIKeyJICDQRTVJLDBNX-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.00
Rot. Bonds7

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

N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 56662649) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID56662649
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccncc3NCCN3CCOCC3)cs2)c1
InChIInChI=1S/C21H25N5OS/c1-16-3-2-4-17(13-16)24-21-25-20(15-28-21)18-5-6-22-14-19(18)23-7-8-26-9-11-27-12-10-26/h2-6,13-15,23H,7-12H2,1H3,(H,24,25)
InChIKeyJICDQRTVJLDBNX-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-[3-(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
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
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
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
4-phenyl-N-(3-pyridinyl)-2-thiazolamine
CID 697807
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
N-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 704452
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine (CID 56662649) is N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccncc3NCCN3CCOCC3)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is JICDQRTVJLDBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-16-3-2-4-17(13-16)24-21-25-20(15-28-21)18-5-6-22-14-19(18)23-7-8-26-9-11-27-12-10-26/h2-6,13-15,23H,7-12H2,1H3,(H,24,25).
What are the key properties of N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-[3-(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-[3-(2-morpholin-4-ylethylamino)-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56662649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).