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

C8H13FN2S — CID 84770823

IUPAC1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(C(C)(C)F)s1
InChIInChI=1S/C8H13FN2S/c1-8(2,9)6-4-11-7(12-6)5-10-3/h4,10H,5H2,1-3H3
InChIKeyAREZMUOQVAPSPF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.07
Rot. Bonds3

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

1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 84770823) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID84770823
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(C(C)(C)F)s1
InChIInChI=1S/C8H13FN2S/c1-8(2,9)6-4-11-7(12-6)5-10-3/h4,10H,5H2,1-3H3
InChIKeyAREZMUOQVAPSPF-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
5-Tert-butyl-2-methyl-1,3-thiazole
CID 20737594
4-[[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]amino]butanenitrile
CID 97877901

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 84770823) is 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1ncc(C(C)(C)F)s1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is AREZMUOQVAPSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-8(2,9)6-4-11-7(12-6)5-10-3/h4,10H,5H2,1-3H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84770823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).