N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide

C23H22N6OS — CID 175251030

IUPACN-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc(Nc2nccc(-c3sc(-c4cccnc4)nc3C)n2)c1
InChIInChI=1S/C23H22N6OS/c1-15-21(31-22(27-15)18-6-4-10-24-14-18)20-9-12-26-23(29-20)28-19-7-3-5-17(13-19)8-11-25-16(2)30/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyNMTPZOHFLBYELZ-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.39
Rot. Bonds7

About N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide

N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide (PubChem CID 175251030) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide
PubChem CID175251030
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC NameN-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc(Nc2nccc(-c3sc(-c4cccnc4)nc3C)n2)c1
InChIInChI=1S/C23H22N6OS/c1-15-21(31-22(27-15)18-6-4-10-24-14-18)20-9-12-26-23(29-20)28-19-7-3-5-17(13-19)8-11-25-16(2)30/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyNMTPZOHFLBYELZ-UHFFFAOYSA-N
XLogP4.39
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 68937841
4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
CID 141131257
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 11724828
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide
CID 11567302
3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174526213
4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine
CID 71205367
1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
CID 110395265
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214457

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide (CID 175251030) is N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide is CC(=O)NCCc1cccc(Nc2nccc(-c3sc(-c4cccnc4)nc3C)n2)c1.
What is the InChIKey of N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide?
The InChIKey is NMTPZOHFLBYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c1-15-21(31-22(27-15)18-6-4-10-24-14-18)20-9-12-26-23(29-20)28-19-7-3-5-17(13-19)8-11-25-16(2)30/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,30)(H,26,28,29).
What are the key properties of N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide?
N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide has a molecular weight of 430.54 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide is sourced from PubChem (CID 175251030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).