5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C19H21Cl2N5OS — CID 58688455

IUPAC5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cnc(NC(C)C)s2)cc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C19H21Cl2N5OS/c1-11(2)24-19-23-10-17(28-19)16-9-15(13-8-12(20)4-5-14(13)21)25-18(26-16)22-6-7-27-3/h4-5,8-11H,6-7H2,1-3H3,(H,23,24)(H,22,25,26)
InChIKeyLFRJMMZKEGYTPO-UHFFFAOYSA-N
MW438.38 g/mol
LogP5.45
Rot. Bonds8

About 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58688455) has the molecular formula C19H21Cl2N5OS and a molecular weight of 438.38 g/mol. Its IUPAC name is 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58688455
Molecular FormulaC19H21Cl2N5OS
Molecular Weight438.38 g/mol
Exact Mass437.08
IUPAC Name5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cnc(NC(C)C)s2)cc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C19H21Cl2N5OS/c1-11(2)24-19-23-10-17(28-19)16-9-15(13-8-12(20)4-5-14(13)21)25-18(26-16)22-6-7-27-3/h4-5,8-11H,6-7H2,1-3H3,(H,23,24)(H,22,25,26)
InChIKeyLFRJMMZKEGYTPO-UHFFFAOYSA-N
XLogP5.45
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.38
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-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

2-[2-(2-methoxyethylamino)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]benzonitrile
CID 58688483
2-[[4-(2-chloro-4-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol
CID 89126501
5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 52942781
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431
1-ethyl-3-[[5-fluoro-2-[2-(2-hydroxyethylamino)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl]urea
CID 143274324
5-[6-(2-chloro-4-fluorophenyl)-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 58688386
1-[[4-[2-(aminomethyl)phenyl]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 58688300
5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 58688468
1-ethyl-3-[[2-[2-[[(2S)-1-methoxypropan-2-yl]amino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl]urea
CID 58688616
1-[[2-[2-[[(2R)-2-aminopropyl]amino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl]-3-ethylurea
CID 58688394
N-[(2R)-butan-2-yl]-5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
CID 52947595
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 58688455) is 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is COCCNc1nc(-c2cnc(NC(C)C)s2)cc(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is LFRJMMZKEGYTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5OS/c1-11(2)24-19-23-10-17(28-19)16-9-15(13-8-12(20)4-5-14(13)21)25-18(26-16)22-6-7-27-3/h4-5,8-11H,6-7H2,1-3H3,(H,23,24)(H,22,25,26).
What are the key properties of 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 438.38 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,5-dichlorophenyl)-2-(2-methoxyethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58688455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).