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

C14H16FN3S — CID 62753772

IUPAC5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1ncc(CNC2CC2)s1)c1ccccc1F
InChIInChI=1S/C14H16FN3S/c1-18(13-5-3-2-4-12(13)15)14-17-9-11(19-14)8-16-10-6-7-10/h2-5,9-10,16H,6-8H2,1H3
InChIKeyGQSPLBJNWBSBFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.30
Rot. Bonds5

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

5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62753772) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62753772
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1ncc(CNC2CC2)s1)c1ccccc1F
InChIInChI=1S/C14H16FN3S/c1-18(13-5-3-2-4-12(13)15)14-17-9-11(19-14)8-16-10-6-7-10/h2-5,9-10,16H,6-8H2,1H3
InChIKeyGQSPLBJNWBSBFQ-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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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 62753772) is 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CN(c1ncc(CNC2CC2)s1)c1ccccc1F.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GQSPLBJNWBSBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-18(13-5-3-2-4-12(13)15)14-17-9-11(19-14)8-16-10-6-7-10/h2-5,9-10,16H,6-8H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(2-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-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62753772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).