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

C15H18FN3S — CID 62753295

IUPAC5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc(CNC2CC2)s1
InChIInChI=1S/C15H18FN3S/c1-19(10-11-2-4-12(16)5-3-11)15-18-9-14(20-15)8-17-13-6-7-13/h2-5,9,13,17H,6-8,10H2,1H3
InChIKeyPVYDOMXLPHPIAV-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.17
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 62753295) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID62753295
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc(CNC2CC2)s1
InChIInChI=1S/C15H18FN3S/c1-19(10-11-2-4-12(16)5-3-11)15-18-9-14(20-15)8-17-13-6-7-13/h2-5,9,13,17H,6-8,10H2,1H3
InChIKeyPVYDOMXLPHPIAV-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753127
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753296
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752845
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 107379846
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753772
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
1-[2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 62753873
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754021
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754444

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 62753295) is 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is CN(Cc1ccc(F)cc1)c1ncc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is PVYDOMXLPHPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-19(10-11-2-4-12(16)5-3-11)15-18-9-14(20-15)8-17-13-6-7-13/h2-5,9,13,17H,6-8,10H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 291.39 g/mol, XLogP of 3.17, 6 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)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62753295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).