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

C17H23FN2S — CID 63649782

IUPACN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2ccc(C)c(F)c2)sc1C
InChIInChI=1S/C17H23FN2S/c1-6-15-12(5)21-17(20-15)16(19-10(2)3)13-8-7-11(4)14(18)9-13/h7-10,16,19H,6H2,1-5H3
InChIKeySOKZTYHFXMVQTD-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.55
Rot. Bonds5

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

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine (PubChem CID 63649782) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine
PubChem CID63649782
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2ccc(C)c(F)c2)sc1C
InChIInChI=1S/C17H23FN2S/c1-6-15-12(5)21-17(20-15)16(19-10(2)3)13-8-7-11(4)14(18)9-13/h7-10,16,19H,6H2,1-5H3
InChIKeySOKZTYHFXMVQTD-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine (CID 63649782) is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine is CCc1nc(C(NC(C)C)c2ccc(C)c(F)c2)sc1C.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
The InChIKey is SOKZTYHFXMVQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-6-15-12(5)21-17(20-15)16(19-10(2)3)13-8-7-11(4)14(18)9-13/h7-10,16,19H,6H2,1-5H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine?
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63649782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).