5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

C14H16ClF2N3S — CID 83072746

IUPAC5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2c(F)cc(F)cc2Cl)s1
InChIInChI=1S/C14H16ClF2N3S/c1-3-20(4-2)14-19-8-10(21-14)7-18-13-11(15)5-9(16)6-12(13)17/h5-6,8,18H,3-4,7H2,1-2H3
InChIKeyIBEUFWAJEXCOIS-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.53
Rot. Bonds6

About 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 83072746) has the molecular formula C14H16ClF2N3S and a molecular weight of 331.82 g/mol. Its IUPAC name is 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID83072746
Molecular FormulaC14H16ClF2N3S
Molecular Weight331.82 g/mol
Exact Mass331.07
IUPAC Name5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2c(F)cc(F)cc2Cl)s1
InChIInChI=1S/C14H16ClF2N3S/c1-3-20(4-2)14-19-8-10(21-14)7-18-13-11(15)5-9(16)6-12(13)17/h5-6,8,18H,3-4,7H2,1-2H3
InChIKeyIBEUFWAJEXCOIS-UHFFFAOYSA-N
XLogP4.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 83078204
5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 107609410
N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
CID 62810541
5-[(2-bromo-4-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 81263479
5-[(4-bromo-2-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43774908
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol
CID 168583445
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43758575
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
CID 43770979
2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104822073
N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 83072746) is 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNc2c(F)cc(F)cc2Cl)s1.
What is the InChIKey of 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is IBEUFWAJEXCOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N3S/c1-3-20(4-2)14-19-8-10(21-14)7-18-13-11(15)5-9(16)6-12(13)17/h5-6,8,18H,3-4,7H2,1-2H3.
What are the key properties of 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 331.82 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83072746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).