1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine

C14H16F2N2S — CID 139564086

IUPAC1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cnc(C(C)(C)F)s2)c1
InChIInChI=1S/C14H16F2N2S/c1-14(2,16)13-18-8-12(19-13)10-6-9(7-17-3)4-5-11(10)15/h4-6,8,17H,7H2,1-3H3
InChIKeyYHESKFDCJYFXMO-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.87
Rot. Bonds4

About 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine

1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine (PubChem CID 139564086) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
PubChem CID139564086
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(-c2cnc(C(C)(C)F)s2)c1
InChIInChI=1S/C14H16F2N2S/c1-14(2,16)13-18-8-12(19-13)10-6-9(7-17-3)4-5-11(10)15/h4-6,8,17H,7H2,1-3H3
InChIKeyYHESKFDCJYFXMO-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
2,5-Diphenylthiazole
CID 3014233
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
(2R)-N-methyl-1-oxo-2-(2-phenyl-1,3-thiazol-5-yl)thiane-2-carbothioamide
CID 45266374
[5-(3-Phenylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155557978
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 123793649
Benzyl[(1,3-thiazol-5-yl)methyl]amine
CID 21710584
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine (CID 139564086) is 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine is CNCc1ccc(F)c(-c2cnc(C(C)(C)F)s2)c1.
What is the InChIKey of 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is YHESKFDCJYFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-14(2,16)13-18-8-12(19-13)10-6-9(7-17-3)4-5-11(10)15/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 282.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 139564086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).