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

C14H16FN3S — CID 62754267

IUPAC5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1ccc(F)cc1)c1ncc(CNC2CC2)s1
InChIInChI=1S/C14H16FN3S/c1-18(12-6-2-10(15)3-7-12)14-17-9-13(19-14)8-16-11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3
InChIKeyCAXGVTXRSFXXKH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.30
Rot. Bonds5

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

5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62754267) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62754267
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1ccc(F)cc1)c1ncc(CNC2CC2)s1
InChIInChI=1S/C14H16FN3S/c1-18(12-6-2-10(15)3-7-12)14-17-9-13(19-14)8-16-11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3
InChIKeyCAXGVTXRSFXXKH-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753295
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753772
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754021
5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766848
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62749687
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
4-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylpyridin-2-amine
CID 62292831
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752845
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115676041
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 62753260
N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55111876

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 62754267) is 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CN(c1ccc(F)cc1)c1ncc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is CAXGVTXRSFXXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-18(12-6-2-10(15)3-7-12)14-17-9-13(19-14)8-16-11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62754267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).