4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C21H18N4OS — CID 166625295

IUPAC4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccccc2-c2csc(Nc3ncccn3)n2)c(C)c1
InChIInChI=1S/C21H18N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-13H,1-2H3,(H,22,23,24,25)
InChIKeyCIXOQZJVPODPDM-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.75
Rot. Bonds5

About 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 166625295) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID166625295
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccccc2-c2csc(Nc3ncccn3)n2)c(C)c1
InChIInChI=1S/C21H18N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-13H,1-2H3,(H,22,23,24,25)
InChIKeyCIXOQZJVPODPDM-UHFFFAOYSA-N
XLogP5.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine 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

4-[2-(2,4-dimethylphenoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-1,3-thiazol-2-amine
CID 132601874
2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide
CID 67668724
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-methyl-4-[2-[2-[2-[2-(methylamino)-1,3-thiazol-4-yl]phenoxy]ethoxy]phenyl]-1,3-thiazol-2-amine
CID 139228012
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 2877560
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 166625295) is 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is Cc1ccc(Oc2ccccc2-c2csc(Nc3ncccn3)n2)c(C)c1.
What is the InChIKey of 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is CIXOQZJVPODPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-13H,1-2H3,(H,22,23,24,25).
What are the key properties of 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 374.47 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 166625295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).