N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine

C10H10Cl2N4S — CID 108778532

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(CCl)cs2)n1
InChIInChI=1S/C10H10Cl2N4S/c1-2-8-14-7(12)3-9(15-8)16-10-13-6(4-11)5-17-10/h3,5H,2,4H2,1H3,(H,13,14,15,16)
InChIKeyLJZGZSURQIEZNL-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.63
Rot. Bonds4

About N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine

N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine (PubChem CID 108778532) has the molecular formula C10H10Cl2N4S and a molecular weight of 289.19 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
PubChem CID108778532
Molecular FormulaC10H10Cl2N4S
Molecular Weight289.19 g/mol
Exact Mass288.00
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc(CCl)cs2)n1
InChIInChI=1S/C10H10Cl2N4S/c1-2-8-14-7(12)3-9(15-8)16-10-13-6(4-11)5-17-10/h3,5H,2,4H2,1H3,(H,13,14,15,16)
InChIKeyLJZGZSURQIEZNL-UHFFFAOYSA-N
XLogP3.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-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-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777939
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 82179811
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
4-(chloromethyl)-N-(2-methyl-6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778499
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
4-(chloromethyl)-N-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179805
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772258

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine (CID 108778532) is N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine is CCc1nc(Cl)cc(Nc2nc(CCl)cs2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine?
The InChIKey is LJZGZSURQIEZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4S/c1-2-8-14-7(12)3-9(15-8)16-10-13-6(4-11)5-17-10/h3,5H,2,4H2,1H3,(H,13,14,15,16).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine has a molecular weight of 289.19 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 108778532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).