N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

C19H26FN3O2S — CID 58791823

IUPACN-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(Nc2nc(CN3CCOCC3)cs2)cc1F
InChIInChI=1S/C19H26FN3O2S/c1-2-3-4-9-25-18-6-5-15(12-17(18)20)21-19-22-16(14-26-19)13-23-7-10-24-11-8-23/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,21,22)
InChIKeyLTWDHETWZRXBHG-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.43
Rot. Bonds9

About N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 58791823) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID58791823
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC NameN-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(Nc2nc(CN3CCOCC3)cs2)cc1F
InChIInChI=1S/C19H26FN3O2S/c1-2-3-4-9-25-18-6-5-15(12-17(18)20)21-19-22-16(14-26-19)13-23-7-10-24-11-8-23/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,21,22)
InChIKeyLTWDHETWZRXBHG-UHFFFAOYSA-N
XLogP4.43
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (CID 58791823) is N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is CCCCCOc1ccc(Nc2nc(CN3CCOCC3)cs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is LTWDHETWZRXBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-2-3-4-9-25-18-6-5-15(12-17(18)20)21-19-22-16(14-26-19)13-23-7-10-24-11-8-23/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,21,22).
What are the key properties of N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 379.50 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pentoxyphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58791823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).