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

C11H11ClN2S — CID 83153410

IUPAC4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(Cl)cs2)c(C)c1
InChIInChI=1S/C11H11ClN2S/c1-7-3-4-9(8(2)5-7)13-11-14-10(12)6-15-11/h3-6H,1-2H3,(H,13,14)
InChIKeySADCZKCBOQPGKH-UHFFFAOYSA-N
MW238.74 g/mol
LogP4.16
Rot. Bonds2

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

4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 83153410) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID83153410
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(Cl)cs2)c(C)c1
InChIInChI=1S/C11H11ClN2S/c1-7-3-4-9(8(2)5-7)13-11-14-10(12)6-15-11/h3-6H,1-2H3,(H,13,14)
InChIKeySADCZKCBOQPGKH-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
N-(2-bromo-5-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83155520
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
4-(chloromethyl)-N-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179805
4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 83152214
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152809
4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine
CID 83155997
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 50830719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 83153410) is 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(Cl)cs2)c(C)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is SADCZKCBOQPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-3-4-9(8(2)5-7)13-11-14-10(12)6-15-11/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 238.74 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).