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

C19H12Cl2N4S — CID 10157736

IUPACN-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESClc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1Cl
InChIInChI=1S/C19H12Cl2N4S/c20-15-6-2-5-14(17(15)21)12-3-1-4-13(11-12)24-19-23-8-7-16(25-19)18-22-9-10-26-18/h1-11H,(H,23,24,25)
InChIKeyZMYWFSXRIJCILM-UHFFFAOYSA-N
MW399.31 g/mol
LogP6.32
Rot. Bonds4

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

N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 10157736) has the molecular formula C19H12Cl2N4S and a molecular weight of 399.31 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID10157736
Molecular FormulaC19H12Cl2N4S
Molecular Weight399.31 g/mol
Exact Mass398.02
IUPAC NameN-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESClc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1Cl
InChIInChI=1S/C19H12Cl2N4S/c20-15-6-2-5-14(17(15)21)12-3-1-4-13(11-12)24-19-23-8-7-16(25-19)18-22-9-10-26-18/h1-11H,(H,23,24,25)
InChIKeyZMYWFSXRIJCILM-UHFFFAOYSA-N
XLogP6.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.31
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-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-(4-methylsulfanylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10110093
N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292744
N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 142712821
1-N-(3-nitrophenyl)-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine
CID 58932505
N-[3-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292069
N-[3-(3-chlorophenoxy)-4-methoxyphenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10295065
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10134251
N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10199490
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
CID 163691789
CID 163691789
N-[3-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 20741362
N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 67453733

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 10157736) is N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Clc1cccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is ZMYWFSXRIJCILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4S/c20-15-6-2-5-14(17(15)21)12-3-1-4-13(11-12)24-19-23-8-7-16(25-19)18-22-9-10-26-18/h1-11H,(H,23,24,25).
What are the key properties of N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 399.31 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 10157736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).