N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C16H22FN3S — CID 62768912

IUPACN-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)c2ccc(F)cc2)nc1C
InChIInChI=1S/C16H22FN3S/c1-4-10-18-11-15-12(3)19-16(21-15)20(5-2)14-8-6-13(17)7-9-14/h6-9,18H,4-5,10-11H2,1-3H3
InChIKeyPFVFDZQWHDMSIQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.25
Rot. Bonds7

About N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62768912) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62768912
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC NameN-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)c2ccc(F)cc2)nc1C
InChIInChI=1S/C16H22FN3S/c1-4-10-18-11-15-12(3)19-16(21-15)20(5-2)14-8-6-13(17)7-9-14/h6-9,18H,4-5,10-11H2,1-3H3
InChIKeyPFVFDZQWHDMSIQ-UHFFFAOYSA-N
XLogP4.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 55112610
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 62768210
2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79392895
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62283567
4-methyl-N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768369
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
4-ethyl-2-(N-ethyl-4-fluoroanilino)-1,3-thiazole-5-carbaldehyde
CID 55112745

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62768912) is N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(CC)c2ccc(F)cc2)nc1C.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is PFVFDZQWHDMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-4-10-18-11-15-12(3)19-16(21-15)20(5-2)14-8-6-13(17)7-9-14/h6-9,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 307.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).