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

C16H22N2OS — CID 62542712

IUPACN-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(-c2csc(CNC(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N2OS/c1-5-19-13-8-6-12(7-9-13)14-11-20-15(18-14)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyJRFHXBXZFGAPNT-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.10
Rot. Bonds5

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

N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62542712) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62542712
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(-c2csc(CNC(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N2OS/c1-5-19-13-8-6-12(7-9-13)14-11-20-15(18-14)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyJRFHXBXZFGAPNT-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62545171
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazine;hydrobromide
CID 171114823
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542554
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
5-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 50838837
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62542712) is N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CCOc1ccc(-c2csc(CNC(C)(C)C)n2)cc1.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JRFHXBXZFGAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-19-13-8-6-12(7-9-13)14-11-20-15(18-14)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62542712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).