N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C12H15FN2S — CID 43439978

IUPACN-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCc1ccc(F)cc1NC1=NC(C)(C)CS1
InChIInChI=1S/C12H15FN2S/c1-8-4-5-9(13)6-10(8)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyPCGRMJOVCCOXQJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.43
Rot. Bonds1

About N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 43439978) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID43439978
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC NameN-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCc1ccc(F)cc1NC1=NC(C)(C)CS1
InChIInChI=1S/C12H15FN2S/c1-8-4-5-9(13)6-10(8)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyPCGRMJOVCCOXQJ-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165078
N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43555941
N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 102854306
N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
CID 43439652
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550272
N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 83087402
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(2,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43382052
4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine
CID 107589096
3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
CID 102985191
N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 43439978) is N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is Cc1ccc(F)cc1NC1=NC(C)(C)CS1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is PCGRMJOVCCOXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-8-4-5-9(13)6-10(8)14-11-15-12(2,3)7-16-11/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 43439978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).