5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

C12H13FN2S — CID 82054554

IUPAC5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H13FN2S/c1-8-11(16-12(14-2)15-8)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyYHIRYVFSQNRXSG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 82054554) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID82054554
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H13FN2S/c1-8-11(16-12(14-2)15-8)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyYHIRYVFSQNRXSG-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-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

5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054603
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 93202790
5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054555
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 110645419
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854745

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 82054554) is 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is YHIRYVFSQNRXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-11(16-12(14-2)15-8)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 236.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82054554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).