3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine

C11H19FN2S — CID 107443532

IUPAC3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine
SMILESCc1csc(CC(F)C(CN)C(C)C)n1
InChIInChI=1S/C11H19FN2S/c1-7(2)9(5-13)10(12)4-11-14-8(3)6-15-11/h6-7,9-10H,4-5,13H2,1-3H3
InChIKeyXUTPYVAVRCYXMB-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.56
Rot. Bonds5

About 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine

3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine (PubChem CID 107443532) has the molecular formula C11H19FN2S and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine
PubChem CID107443532
Molecular FormulaC11H19FN2S
Molecular Weight230.35 g/mol
Exact Mass230.13
IUPAC Name3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine
SMILESCc1csc(CC(F)C(CN)C(C)C)n1
InChIInChI=1S/C11H19FN2S/c1-7(2)9(5-13)10(12)4-11-14-8(3)6-15-11/h6-7,9-10H,4-5,13H2,1-3H3
InChIKeyXUTPYVAVRCYXMB-UHFFFAOYSA-N
XLogP2.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 15034992
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
2-(4-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24261997
4-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)piperidine
CID 62541784
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805
3-(4-(Propan-2-yl)-1,3-thiazol-2-yl)piperidine
CID 24261806
Cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine
CID 46785177
1-(4-Methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 54592926
4-[4-(Propan-2-yl)-1,3-thiazol-2-yl]piperidine
CID 24261828
1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 75383313

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine (CID 107443532) is 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine is Cc1csc(CC(F)C(CN)C(C)C)n1.
What is the InChIKey of 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine?
The InChIKey is XUTPYVAVRCYXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2S/c1-7(2)9(5-13)10(12)4-11-14-8(3)6-15-11/h6-7,9-10H,4-5,13H2,1-3H3.
What are the key properties of 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine?
3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107443532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).