4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine

C7H12FN3S — CID 89233589

IUPAC4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNCCc1sc(N)nc1CF
InChIInChI=1S/C7H12FN3S/c1-10-3-2-6-5(4-8)11-7(9)12-6/h10H,2-4H2,1H3,(H2,9,11)
InChIKeyYBFYBHMFJXRCDB-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.96
Rot. Bonds4

About 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine

4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 89233589) has the molecular formula C7H12FN3S and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID89233589
Molecular FormulaC7H12FN3S
Molecular Weight189.26 g/mol
Exact Mass189.07
IUPAC Name4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNCCc1sc(N)nc1CF
InChIInChI=1S/C7H12FN3S/c1-10-3-2-6-5(4-8)11-7(9)12-6/h10H,2-4H2,1H3,(H2,9,11)
InChIKeyYBFYBHMFJXRCDB-UHFFFAOYSA-N
XLogP0.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Amthamine
CID 126688
4-Ethyl-5-methyl-1,3-thiazol-2-amine
CID 3164022
5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 2304055
5-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-amine;hydrobromide
CID 45261548
Amthamine dihydrobromide
CID 16218912
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 13519687
5-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-amine dihydrochloride
CID 88143882
4-Ethyl-5-methyl-1,3-thiazol-2-amine hydrobromide
CID 42937515
5-(2-aminoethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 50988945
5-[1-(Hydroxyimino)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 126970839
4-(1-Aminoethyl)-5-methyl-1,3-thiazol-2-amine
CID 127003453
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 135001092

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 89233589) is 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine is CNCCc1sc(N)nc1CF.
What is the InChIKey of 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is YBFYBHMFJXRCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3S/c1-10-3-2-6-5(4-8)11-7(9)12-6/h10H,2-4H2,1H3,(H2,9,11).
What are the key properties of 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine?
4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 189.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-[2-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89233589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).