N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine

C22H21N5S — CID 108777928

IUPACN-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2c(C)nc(C)nc2Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C22H21N5S/c1-14-7-9-17(10-8-14)12-18-15(2)24-16(3)25-21(18)27-22-26-20(13-28-22)19-6-4-5-11-23-19/h4-11,13H,12H2,1-3H3,(H,24,25,26,27)
InChIKeyLJLDIKYZWUBMPF-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.25
Rot. Bonds5

About N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine

N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 108777928) has the molecular formula C22H21N5S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID108777928
Molecular FormulaC22H21N5S
Molecular Weight387.51 g/mol
Exact Mass387.15
IUPAC NameN-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2c(C)nc(C)nc2Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C22H21N5S/c1-14-7-9-17(10-8-14)12-18-15(2)24-16(3)25-21(18)27-22-26-20(13-28-22)19-6-4-5-11-23-19/h4-11,13H,12H2,1-3H3,(H,24,25,26,27)
InChIKeyLJLDIKYZWUBMPF-UHFFFAOYSA-N
XLogP5.25
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 108779908
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779643
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772072
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
N-(3-chloro-2-methylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 746698
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] 4-(4-methylphenyl)butanoate
CID 110492771
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108776567

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 108777928) is N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine is Cc1ccc(Cc2c(C)nc(C)nc2Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is LJLDIKYZWUBMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5S/c1-14-7-9-17(10-8-14)12-18-15(2)24-16(3)25-21(18)27-22-26-20(13-28-22)19-6-4-5-11-23-19/h4-11,13H,12H2,1-3H3,(H,24,25,26,27).
What are the key properties of N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 387.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108777928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).