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

C15H20FN3S — CID 62810541

IUPACN,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2ccc(F)c(C)c2)s1
InChIInChI=1S/C15H20FN3S/c1-4-19(5-2)15-18-10-13(20-15)9-17-12-6-7-14(16)11(3)8-12/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyIYNTURKMMRPFIS-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds6

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

N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 62810541) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID62810541
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2ccc(F)c(C)c2)s1
InChIInChI=1S/C15H20FN3S/c1-4-19(5-2)15-18-10-13(20-15)9-17-12-6-7-14(16)11(3)8-12/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyIYNTURKMMRPFIS-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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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-fluoro-3-methylaniline
CID 55177353
N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778705
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
CID 43770979
5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 107609410
5-[(2-bromo-4-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 81263479
5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83072746
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine (CID 62810541) is N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNc2ccc(F)c(C)c2)s1.
What is the InChIKey of N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is IYNTURKMMRPFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-4-19(5-2)15-18-10-13(20-15)9-17-12-6-7-14(16)11(3)8-12/h6-8,10,17H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(4-fluoro-3-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-3-methylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62810541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).