5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C16H20FN3S — CID 62766848

IUPAC5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccc(F)cc2)sc1CNC1CC1
InChIInChI=1S/C16H20FN3S/c1-3-14-15(10-18-12-6-7-12)21-16(19-14)20(2)13-8-4-11(17)5-9-13/h4-5,8-9,12,18H,3,6-7,10H2,1-2H3
InChIKeyROWJCEHHFXMXTE-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.86
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62766848) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62766848
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccc(F)cc2)sc1CNC1CC1
InChIInChI=1S/C16H20FN3S/c1-3-14-15(10-18-12-6-7-12)21-16(19-14)20(2)13-8-4-11(17)5-9-13/h4-5,8-9,12,18H,3,6-7,10H2,1-2H3
InChIKeyROWJCEHHFXMXTE-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768575
N-[[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82429046
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62766659
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767508
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 115987966
N-[[4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107935527
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841874
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
CID 114850424

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 62766848) is 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc(N(C)c2ccc(F)cc2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is ROWJCEHHFXMXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-3-14-15(10-18-12-6-7-12)21-16(19-14)20(2)13-8-4-11(17)5-9-13/h4-5,8-9,12,18H,3,6-7,10H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 305.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).