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

C16H21FN2OS — CID 114364975

IUPACN-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(OC)cc2F)nc1C(C)C
InChIInChI=1S/C16H21FN2OS/c1-5-18-9-14-15(10(2)3)19-16(21-14)12-7-6-11(20-4)8-13(12)17/h6-8,10,18H,5,9H2,1-4H3
InChIKeyYIAZTESOERQPLR-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.19
Rot. Bonds6

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

N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114364975) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114364975
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(OC)cc2F)nc1C(C)C
InChIInChI=1S/C16H21FN2OS/c1-5-18-9-14-15(10(2)3)19-16(21-14)12-7-6-11(20-4)8-13(12)17/h6-8,10,18H,5,9H2,1-4H3
InChIKeyYIAZTESOERQPLR-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-propan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107935540
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434874
N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 102885658
N-[[2-(2,4-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368646
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 81305150
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889740
N-[[2-(4-fluoro-2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365280
N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 102885665
2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82435121
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 81303969

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114364975) is N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccc(OC)cc2F)nc1C(C)C.
What is the InChIKey of N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YIAZTESOERQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-5-18-9-14-15(10(2)3)19-16(21-14)12-7-6-11(20-4)8-13(12)17/h6-8,10,18H,5,9H2,1-4H3.
What are the key properties of N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 308.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114364975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).