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

C23H23N5S — CID 54765908

IUPACN,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nccc(-c3sc(N(C)c4ccccc4C)nc3C)n2)c1
InChIInChI=1S/C23H23N5S/c1-15-8-7-10-18(14-15)26-22-24-13-12-19(27-22)21-17(3)25-23(29-21)28(4)20-11-6-5-9-16(20)2/h5-14H,1-4H3,(H,24,26,27)
InChIKeyBZUYYEZEPOSWIY-UHFFFAOYSA-N
MW401.54 g/mol
LogP6.04
Rot. Bonds5

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

N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 54765908) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID54765908
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC NameN,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nccc(-c3sc(N(C)c4ccccc4C)nc3C)n2)c1
InChIInChI=1S/C23H23N5S/c1-15-8-7-10-18(14-15)26-22-24-13-12-19(27-22)21-17(3)25-23(29-21)28(4)20-11-6-5-9-16(20)2/h5-14H,1-4H3,(H,24,26,27)
InChIKeyBZUYYEZEPOSWIY-UHFFFAOYSA-N
XLogP6.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-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

N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
3-[[4-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
CID 87954429
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
CID 89370521
CID 89370521
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine
CID 71205367
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 11724828
3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
CID 67348933
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine (CID 54765908) is N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nccc(-c3sc(N(C)c4ccccc4C)nc3C)n2)c1.
What is the InChIKey of N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is BZUYYEZEPOSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-15-8-7-10-18(14-15)26-22-24-13-12-19(27-22)21-17(3)25-23(29-21)28(4)20-11-6-5-9-16(20)2/h5-14H,1-4H3,(H,24,26,27).
What are the key properties of N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 401.54 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 54765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).