2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine

C9H15FN2S — CID 112645708

IUPAC2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCC(C)C(F)(CN)Cc1cncs1
InChIInChI=1S/C9H15FN2S/c1-7(2)9(10,5-11)3-8-4-12-6-13-8/h4,6-7H,3,5,11H2,1-2H3
InChIKeyRCMDJIXXQBUCEU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.01
Rot. Bonds4

About 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine

2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine (PubChem CID 112645708) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
PubChem CID112645708
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCC(C)C(F)(CN)Cc1cncs1
InChIInChI=1S/C9H15FN2S/c1-7(2)9(10,5-11)3-8-4-12-6-13-8/h4,6-7H,3,5,11H2,1-2H3
InChIKeyRCMDJIXXQBUCEU-UHFFFAOYSA-N
XLogP2.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 5-propyl-
CID 40379
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CID 126810939
5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(Piperidin-4-yl)thiazole
CID 82413083
2-Fluoro-5-propyl-1,3-thiazole
CID 89006935
5-(7,7,7-Trifluoroheptyl)-1,3-thiazole
CID 117719633
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-(4-Fluorobutyl)-2-methyl-1,3-thiazole
CID 141873778

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine (CID 112645708) is 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine is CC(C)C(F)(CN)Cc1cncs1.
What is the InChIKey of 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The InChIKey is RCMDJIXXQBUCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-7(2)9(10,5-11)3-8-4-12-6-13-8/h4,6-7H,3,5,11H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 112645708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).