2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine

C11H10ClFN2S — CID 116885849

IUPAC2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine
SMILESCNc1sc(-c2cc(Cl)ccc2F)nc1C
InChIInChI=1S/C11H10ClFN2S/c1-6-10(14-2)16-11(15-6)8-5-7(12)3-4-9(8)13/h3-5,14H,1-2H3
InChIKeyMJQSSWKIGIRBNZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.95
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine

2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine (PubChem CID 116885849) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine
PubChem CID116885849
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine
SMILESCNc1sc(-c2cc(Cl)ccc2F)nc1C
InChIInChI=1S/C11H10ClFN2S/c1-6-10(14-2)16-11(15-6)8-5-7(12)3-4-9(8)13/h3-5,14H,1-2H3
InChIKeyMJQSSWKIGIRBNZ-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
CID 116885355
N,4-dimethyl-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-5-amine
CID 116885826
2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine
CID 134315658
2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886180
N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
CID 116885891
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193718
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62494069
5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595216

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine (CID 116885849) is 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine is CNc1sc(-c2cc(Cl)ccc2F)nc1C.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine?
The InChIKey is MJQSSWKIGIRBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-6-10(14-2)16-11(15-6)8-5-7(12)3-4-9(8)13/h3-5,14H,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine?
2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine has a molecular weight of 256.73 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine is sourced from PubChem (CID 116885849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).