N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C19H24FN3OS — CID 168617536

IUPACN-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(F)cc2COCC2CCCCC2)n1
InChIInChI=1S/C19H24FN3OS/c1-14-13-25-19(22-14)23-21-10-16-7-8-18(20)9-17(16)12-24-11-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,22,23)
InChIKeyAVKCIWGCMVHLLC-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.13
Rot. Bonds7

About N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617536) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617536
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC NameN-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(F)cc2COCC2CCCCC2)n1
InChIInChI=1S/C19H24FN3OS/c1-14-13-25-19(22-14)23-21-10-16-7-8-18(20)9-17(16)12-24-11-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,22,23)
InChIKeyAVKCIWGCMVHLLC-UHFFFAOYSA-N
XLogP5.13
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617536) is N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(F)cc2COCC2CCCCC2)n1.
What is the InChIKey of N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is AVKCIWGCMVHLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-14-13-25-19(22-14)23-21-10-16-7-8-18(20)9-17(16)12-24-11-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,22,23).
What are the key properties of N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 361.49 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).