5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine

C24H24N4OS — CID 91196600

IUPAC5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
SMILESCc1cc(OCc2ccccc2)ccc1-c1cc(CCCc2cnc(N)s2)ncn1
InChIInChI=1S/C24H24N4OS/c1-17-12-20(29-15-18-6-3-2-4-7-18)10-11-22(17)23-13-19(27-16-28-23)8-5-9-21-14-26-24(25)30-21/h2-4,6-7,10-14,16H,5,8-9,15H2,1H3,(H2,25,26)
InChIKeySTOUHZLZDBEEAM-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.25
Rot. Bonds8

About 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine

5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 91196600) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
PubChem CID91196600
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
SMILESCc1cc(OCc2ccccc2)ccc1-c1cc(CCCc2cnc(N)s2)ncn1
InChIInChI=1S/C24H24N4OS/c1-17-12-20(29-15-18-6-3-2-4-7-18)10-11-22(17)23-13-19(27-16-28-23)8-5-9-21-14-26-24(25)30-21/h2-4,6-7,10-14,16H,5,8-9,15H2,1H3,(H2,25,26)
InChIKeySTOUHZLZDBEEAM-UHFFFAOYSA-N
XLogP5.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-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-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 5236069
5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
CID 91603330
5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 58688418
5-[3-[6-[2-chloro-4-(3-methylbut-2-enoxy)phenyl]-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
CID 91137049
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3932194
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 79762020
5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
CID 79774216
2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 3470401
2-methyl-1-(4-methyl-6-phenylmethoxyquinolin-2-yl)propan-2-amine
CID 82577312

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine (CID 91196600) is 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine is Cc1cc(OCc2ccccc2)ccc1-c1cc(CCCc2cnc(N)s2)ncn1.
What is the InChIKey of 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is STOUHZLZDBEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-17-12-20(29-15-18-6-3-2-4-7-18)10-11-22(17)23-13-19(27-16-28-23)8-5-9-21-14-26-24(25)30-21/h2-4,6-7,10-14,16H,5,8-9,15H2,1H3,(H2,25,26).
What are the key properties of 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 416.55 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91196600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).