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

C14H17FN2S — CID 62388931

IUPACN-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1-c1nc(CNC(C)C)cs1
InChIInChI=1S/C14H17FN2S/c1-9(2)16-7-12-8-18-14(17-12)13-6-11(15)5-4-10(13)3/h4-6,8-9,16H,7H2,1-3H3
InChIKeyLJNPOCMXQPDKOO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.76
Rot. Bonds4

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

N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 62388931) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID62388931
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1-c1nc(CNC(C)C)cs1
InChIInChI=1S/C14H17FN2S/c1-9(2)16-7-12-8-18-14(17-12)13-6-11(15)5-4-10(13)3/h4-6,8-9,16H,7H2,1-3H3
InChIKeyLJNPOCMXQPDKOO-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 62388931) is N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is Cc1ccc(F)cc1-c1nc(CNC(C)C)cs1.
What is the InChIKey of N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is LJNPOCMXQPDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9(2)16-7-12-8-18-14(17-12)13-6-11(15)5-4-10(13)3/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62388931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).