N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C17H24N2OS — CID 81178540

IUPACN-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCc1nc(-c2ccccc2)c(CNCC(C)C)s1
InChIInChI=1S/C17H24N2OS/c1-4-20-12-16-19-17(14-8-6-5-7-9-14)15(21-16)11-18-10-13(2)3/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyYCGYRFMJUSMRED-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.09
Rot. Bonds8

About N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81178540) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID81178540
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCc1nc(-c2ccccc2)c(CNCC(C)C)s1
InChIInChI=1S/C17H24N2OS/c1-4-20-12-16-19-17(14-8-6-5-7-9-14)15(21-16)11-18-10-13(2)3/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyYCGYRFMJUSMRED-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81174504
N-[[2-(ethoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365231
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81178307
N-[[4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103476441
N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
CID 94073987
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81173380
N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404625
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylmethyl)-2-methylpropan-1-amine
CID 62921628

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 81178540) is N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCOCc1nc(-c2ccccc2)c(CNCC(C)C)s1.
What is the InChIKey of N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YCGYRFMJUSMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-20-12-16-19-17(14-8-6-5-7-9-14)15(21-16)11-18-10-13(2)3/h5-9,13,18H,4,10-12H2,1-3H3.
What are the key properties of N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81178540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).