N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine

C16H19FN2OS — CID 62350155

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESFc1ccc(-c2nc(CNCC3CCOCC3)cs2)cc1
InChIInChI=1S/C16H19FN2OS/c17-14-3-1-13(2-4-14)16-19-15(11-21-16)10-18-9-12-5-7-20-8-6-12/h1-4,11-12,18H,5-10H2
InChIKeyCIPMWWDPTBWGRE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.47
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 62350155) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID62350155
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESFc1ccc(-c2nc(CNCC3CCOCC3)cs2)cc1
InChIInChI=1S/C16H19FN2OS/c17-14-3-1-13(2-4-14)16-19-15(11-21-16)10-18-9-12-5-7-20-8-6-12/h1-4,11-12,18H,5-10H2
InChIKeyCIPMWWDPTBWGRE-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118524279
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CID 118524281
CID 118524281
CID 118524282
CID 118524282
CID 118524284
CID 118524284
CID 736526
CID 736526
CID 600157
CID 600157
CID 7518520
CID 7518520
CID 7522128
CID 7522128
CID 12050200
CID 12050200
CID 16187236
CID 16187236

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine (CID 62350155) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine is Fc1ccc(-c2nc(CNCC3CCOCC3)cs2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is CIPMWWDPTBWGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c17-14-3-1-13(2-4-14)16-19-15(11-21-16)10-18-9-12-5-7-20-8-6-12/h1-4,11-12,18H,5-10H2.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 306.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62350155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).