[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine

C12H12F2N2S — CID 113328486

IUPAC[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)c2ccc(C(F)F)cc2)n1
InChIInChI=1S/C12H12F2N2S/c1-7-6-17-12(16-7)10(15)8-2-4-9(5-3-8)11(13)14/h2-6,10-11H,15H2,1H3
InChIKeyRCVGLHANUNLABR-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.44
Rot. Bonds3

About [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine

[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 113328486) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID113328486
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)c2ccc(C(F)F)cc2)n1
InChIInChI=1S/C12H12F2N2S/c1-7-6-17-12(16-7)10(15)8-2-4-9(5-3-8)11(13)14/h2-6,10-11H,15H2,1H3
InChIKeyRCVGLHANUNLABR-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 130731435
[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 113328487
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
CID 61330087
N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335982
2-[methoxy-(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole
CID 119084444
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61330663

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 113328486) is [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine is Cc1csc(C(N)c2ccc(C(F)F)cc2)n1.
What is the InChIKey of [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is RCVGLHANUNLABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-7-6-17-12(16-7)10(15)8-2-4-9(5-3-8)11(13)14/h2-6,10-11H,15H2,1H3.
What are the key properties of [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine?
[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 254.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 113328486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).