N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C17H23FN2S — CID 104841964

IUPACN-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(-c2ccc(C)c(F)c2)sc1CNC(C)(C)C
InChIInChI=1S/C17H23FN2S/c1-6-14-15(10-19-17(3,4)5)21-16(20-14)12-8-7-11(2)13(18)9-12/h7-9,19H,6,10H2,1-5H3
InChIKeyPBRRPBKVXLUXBG-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.71
Rot. Bonds4

About N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104841964) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID104841964
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC NameN-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(-c2ccc(C)c(F)c2)sc1CNC(C)(C)C
InChIInChI=1S/C17H23FN2S/c1-6-14-15(10-19-17(3,4)5)21-16(20-14)12-8-7-11(2)13(18)9-12/h7-9,19H,6,10H2,1-5H3
InChIKeyPBRRPBKVXLUXBG-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 104841964) is N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCc1nc(-c2ccc(C)c(F)c2)sc1CNC(C)(C)C.
What is the InChIKey of N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PBRRPBKVXLUXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-6-14-15(10-19-17(3,4)5)21-16(20-14)12-8-7-11(2)13(18)9-12/h7-9,19H,6,10H2,1-5H3.
What are the key properties of N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104841964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).