2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine

C14H18N2OS — CID 82516097

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCOc1ccccc1-c1nc(C(C)(C)N)cs1
InChIInChI=1S/C14H18N2OS/c1-4-17-11-8-6-5-7-10(11)13-16-12(9-18-13)14(2,3)15/h5-9H,4,15H2,1-3H3
InChIKeyKMSZBDMVVLULKN-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.40
Rot. Bonds4

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 82516097) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID82516097
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCOc1ccccc1-c1nc(C(C)(C)N)cs1
InChIInChI=1S/C14H18N2OS/c1-4-17-11-8-6-5-7-10(11)13-16-12(9-18-13)14(2,3)15/h5-9H,4,15H2,1-3H3
InChIKeyKMSZBDMVVLULKN-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515948
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
2-(2-ethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690146
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895
(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
CID 61332859
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 82516097) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is CCOc1ccccc1-c1nc(C(C)(C)N)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is KMSZBDMVVLULKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-17-11-8-6-5-7-10(11)13-16-12(9-18-13)14(2,3)15/h5-9H,4,15H2,1-3H3.
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 82516097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).