2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide

C14H17N3OS — CID 82430088

IUPAC2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccc(OCC)cc2)nc1CC
InChIInChI=1S/C14H17N3OS/c1-3-11-12(13(15)16)19-14(17-11)9-5-7-10(8-6-9)18-4-2/h5-8H,3-4H2,1-2H3,(H3,15,16)
InChIKeyPSYLQLFIQWXMOI-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide

2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide (PubChem CID 82430088) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
PubChem CID82430088
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccc(OCC)cc2)nc1CC
InChIInChI=1S/C14H17N3OS/c1-3-11-12(13(15)16)19-14(17-11)9-5-7-10(8-6-9)18-4-2/h5-8H,3-4H2,1-2H3,(H3,15,16)
InChIKeyPSYLQLFIQWXMOI-UHFFFAOYSA-N
XLogP3.06
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750
2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427214
2-[4-ethyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430074
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430111
[2-(4-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
CID 82428295
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
2-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20984131

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide (CID 82430088) is 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(-c2ccc(OCC)cc2)nc1CC.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide?
The InChIKey is PSYLQLFIQWXMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-11-12(13(15)16)19-14(17-11)9-5-7-10(8-6-9)18-4-2/h5-8H,3-4H2,1-2H3,(H3,15,16).
What are the key properties of 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide?
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide has a molecular weight of 275.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82430088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).