4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine

C13H16FN3O2S2 — CID 103364034

IUPAC4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCCc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2S2/c1-2-21(18,19)11-12(15)17-20-13(11)16-7-6-9-4-3-5-10(14)8-9/h3-5,8,16H,2,6-7H2,1H3,(H2,15,17)
InChIKeyRLGFAODCGXNIDF-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.31
Rot. Bonds6

About 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364034) has the molecular formula C13H16FN3O2S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103364034
Molecular FormulaC13H16FN3O2S2
Molecular Weight329.42 g/mol
Exact Mass329.07
IUPAC Name4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCCc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2S2/c1-2-21(18,19)11-12(15)17-20-13(11)16-7-6-9-4-3-5-10(14)8-9/h3-5,8,16H,2,6-7H2,1H3,(H2,15,17)
InChIKeyRLGFAODCGXNIDF-UHFFFAOYSA-N
XLogP2.31
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103379939
ethyl 3-amino-5-[(3-fluorophenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103382737
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809119
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
CID 103365343
3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
CID 103427766
4-ethylsulfonyl-5-N-(4-imidazol-1-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360335
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647165
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103364034) is 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCCc1cccc(F)c1.
What is the InChIKey of 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is RLGFAODCGXNIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S2/c1-2-21(18,19)11-12(15)17-20-13(11)16-7-6-9-4-3-5-10(14)8-9/h3-5,8,16H,2,6-7H2,1H3,(H2,15,17).
What are the key properties of 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 329.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).