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

C17H17N3S — CID 82428295

IUPAC4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(Cc2cccc3ccccc23)nc1CC
InChIInChI=1S/C17H17N3S/c1-2-14-16(17(18)19)21-15(20-14)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H3,18,19)
InChIKeyBBPRMDYGJGPIEL-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.73
Rot. Bonds4

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

4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82428295) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
PubChem CID82428295
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(Cc2cccc3ccccc23)nc1CC
InChIInChI=1S/C17H17N3S/c1-2-14-16(17(18)19)21-15(20-14)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H3,18,19)
InChIKeyBBPRMDYGJGPIEL-UHFFFAOYSA-N
XLogP3.73
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750
2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557
2-benzyl-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428384
2-(4-ethoxyphenyl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82430088
2-[2-(2,4-dimethylphenoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429808
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82425639
2-[(2-fluorophenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431947
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
2-(azepan-1-yl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82431120
2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide (CID 82428295) is 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(Cc2cccc3ccccc23)nc1CC.
What is the InChIKey of 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is BBPRMDYGJGPIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-14-16(17(18)19)21-15(20-14)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H3,18,19).
What are the key properties of 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide?
4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 295.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82428295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).