[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine

C14H15F3N2S — CID 107920989

IUPAC[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(-c2c(F)cc(F)cc2F)sc1CN
InChIInChI=1S/C14H15F3N2S/c1-7(2)3-11-12(6-18)20-14(19-11)13-9(16)4-8(15)5-10(13)17/h4-5,7H,3,6,18H2,1-2H3
InChIKeyBCBJWRQWBZYUGS-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.88
Rot. Bonds4

About [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine

[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107920989) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107920989
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(-c2c(F)cc(F)cc2F)sc1CN
InChIInChI=1S/C14H15F3N2S/c1-7(2)3-11-12(6-18)20-14(19-11)13-9(16)4-8(15)5-10(13)17/h4-5,7H,3,6,18H2,1-2H3
InChIKeyBCBJWRQWBZYUGS-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920330
[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362037
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282
[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114362054
[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362007
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
N-[[2-(2,4-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368646
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
1-[2-(3-bromo-5-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368371
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine (CID 107920989) is [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(-c2c(F)cc(F)cc2F)sc1CN.
What is the InChIKey of [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BCBJWRQWBZYUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-7(2)3-11-12(6-18)20-14(19-11)13-9(16)4-8(15)5-10(13)17/h4-5,7H,3,6,18H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 300.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107920989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).