3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine

C14H25FN4OS — CID 109455802

IUPAC3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
SMILESCCN/C(=N\CCCF)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C14H25FN4OS/c1-5-16-14(17-8-6-7-15)19(3)9-12-10-21-13(18-12)11(2)20-4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyAZTVYYXOAZBEGZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.61
Rot. Bonds8

About 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine

3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine (PubChem CID 109455802) has the molecular formula C14H25FN4OS and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
PubChem CID109455802
Molecular FormulaC14H25FN4OS
Molecular Weight316.45 g/mol
Exact Mass316.17
IUPAC Name3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
SMILESCCN/C(=N\CCCF)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C14H25FN4OS/c1-5-16-14(17-8-6-7-15)19(3)9-12-10-21-13(18-12)11(2)20-4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyAZTVYYXOAZBEGZ-UHFFFAOYSA-N
XLogP2.61
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 71755475
N'-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]azepane-1-carboximidamide
CID 129432354
4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64438217
N-cyclopropyl-4-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440192
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440341
4-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440789
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440987
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 65545654

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The IUPAC name of 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine (CID 109455802) is 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine.
What is the SMILES notation for 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The canonical SMILES for 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine is CCN/C(=N\CCCF)N(C)Cc1csc(C(C)OC)n1.
What is the InChIKey of 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The InChIKey is AZTVYYXOAZBEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN4OS/c1-5-16-14(17-8-6-7-15)19(3)9-12-10-21-13(18-12)11(2)20-4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine has a molecular weight of 316.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-fluoropropyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine is sourced from PubChem (CID 109455802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).