5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine

C12H10ClF3N2S — CID 43637215

IUPAC5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H10ClF3N2S/c1-6-10(19-11(17)18-6)4-7-2-3-8(13)5-9(7)12(14,15)16/h2-3,5H,4H2,1H3,(H2,17,18)
InChIKeyVVLNVWWSMRKQPU-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.30
Rot. Bonds2

About 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine

5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43637215) has the molecular formula C12H10ClF3N2S and a molecular weight of 306.74 g/mol. Its IUPAC name is 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43637215
Molecular FormulaC12H10ClF3N2S
Molecular Weight306.74 g/mol
Exact Mass306.02
IUPAC Name5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H10ClF3N2S/c1-6-10(19-11(17)18-6)4-7-2-3-8(13)5-9(7)12(14,15)16/h2-3,5H,4H2,1H3,(H2,17,18)
InChIKeyVVLNVWWSMRKQPU-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine (CID 43637215) is 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VVLNVWWSMRKQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2S/c1-6-10(19-11(17)18-6)4-7-2-3-8(13)5-9(7)12(14,15)16/h2-3,5H,4H2,1H3,(H2,17,18).
What are the key properties of 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine?
5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 306.74 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43637215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).