4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine

C9H15FN2S — CID 130648328

IUPAC4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine
SMILESCc1cc(C(F)CC(C)(C)N)sn1
InChIInChI=1S/C9H15FN2S/c1-6-4-8(13-12-6)7(10)5-9(2,3)11/h4,7H,5,11H2,1-3H3
InChIKeyNLFJUEQKRKBAPF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.59
Rot. Bonds3

About 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine

4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine (PubChem CID 130648328) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine
PubChem CID130648328
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine
SMILESCc1cc(C(F)CC(C)(C)N)sn1
InChIInChI=1S/C9H15FN2S/c1-6-4-8(13-12-6)7(10)5-9(2,3)11/h4,7H,5,11H2,1-3H3
InChIKeyNLFJUEQKRKBAPF-UHFFFAOYSA-N
XLogP2.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine?
The IUPAC name of 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine (CID 130648328) is 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine is Cc1cc(C(F)CC(C)(C)N)sn1.
What is the InChIKey of 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine?
The InChIKey is NLFJUEQKRKBAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-6-4-8(13-12-6)7(10)5-9(2,3)11/h4,7H,5,11H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine?
4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 130648328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).