4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

C12H13ClN2S — CID 82179844

IUPAC4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CCl)cs2)c(C)c1
InChIInChI=1S/C12H13ClN2S/c1-8-3-4-11(9(2)5-8)15-12-14-10(6-13)7-16-12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBPLPZGZMCBSSTA-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.24
Rot. Bonds3

About 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 82179844) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID82179844
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CCl)cs2)c(C)c1
InChIInChI=1S/C12H13ClN2S/c1-8-3-4-11(9(2)5-8)15-12-14-10(6-13)7-16-12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBPLPZGZMCBSSTA-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179805
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
4-(chloromethyl)-2-[(2,4-dimethylphenyl)methyl]-1,3-thiazole
CID 82087848
4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 82179811
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 50830719
2-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-methylbenzamide
CID 81112546
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
CID 108778532
4-(chloromethyl)-N-(2-methyl-6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778499

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 82179844) is 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CCl)cs2)c(C)c1.
What is the InChIKey of 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is BPLPZGZMCBSSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-3-4-11(9(2)5-8)15-12-14-10(6-13)7-16-12/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 252.77 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82179844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).