N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine

C15H20FN3S — CID 43764866

IUPACN,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2ccc(F)cc2C)s1
InChIInChI=1S/C15H20FN3S/c1-4-19(5-2)15-18-10-13(20-15)9-17-14-7-6-12(16)8-11(14)3/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyVHTOCYWMLGMFBU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds6

About N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 43764866) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID43764866
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2ccc(F)cc2C)s1
InChIInChI=1S/C15H20FN3S/c1-4-19(5-2)15-18-10-13(20-15)9-17-14-7-6-12(16)8-11(14)3/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyVHTOCYWMLGMFBU-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine (CID 43764866) is N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNc2ccc(F)cc2C)s1.
What is the InChIKey of N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is VHTOCYWMLGMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-4-19(5-2)15-18-10-13(20-15)9-17-14-7-6-12(16)8-11(14)3/h6-8,10,17H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-fluoro-2-methylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43764866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).