methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C6H9F3N2OS — CID 176941473

IUPACmethanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCO.NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S.CH4O/c6-5(7,8)4-10-2-3(1-9)11-4;1-2/h2H,1,9H2;2H,1H3
InChIKeyFJNXHRKUASENSE-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.23
Rot. Bonds1

About methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 176941473) has the molecular formula C6H9F3N2OS and a molecular weight of 214.21 g/mol. Its IUPAC name is methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Namemethanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID176941473
Molecular FormulaC6H9F3N2OS
Molecular Weight214.21 g/mol
Exact Mass214.04
IUPAC Namemethanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCO.NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S.CH4O/c6-5(7,8)4-10-2-3(1-9)11-4;1-2/h2H,1,9H2;2H,1H3
InChIKeyFJNXHRKUASENSE-UHFFFAOYSA-N
XLogP1.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
1-(2-Methoxy-1,3-thiazol-5-yl)methanamine
CID 16494790
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
(2-Ethyl-1,3-thiazol-5-yl)methanamine
CID 60983127
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 165691597
2-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanethiol
CID 21698294
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
(2-Fluoro-1,3-thiazol-5-yl)methanamine
CID 66973581
2-(5-Methyl-1,3-thiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 69714135
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500

Frequently Asked Questions

What is the IUPAC name of methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 176941473) is methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CO.NCc1cnc(C(F)(F)F)s1.
What is the InChIKey of methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FJNXHRKUASENSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S.CH4O/c6-5(7,8)4-10-2-3(1-9)11-4;1-2/h2H,1,9H2;2H,1H3.
What are the key properties of methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 214.21 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 176941473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).