N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C10H16F3N3S — CID 62750606

IUPACN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C10H16F3N3S/c1-6(14-3)8-7(2)15-9(17-8)16(4)5-10(11,12)13/h6,14H,5H2,1-4H3
InChIKeyBMLCVWCNFNHUJW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.73
Rot. Bonds4

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

N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62750606) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62750606
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C10H16F3N3S/c1-6(14-3)8-7(2)15-9(17-8)16(4)5-10(11,12)13/h6,14H,5H2,1-4H3
InChIKeyBMLCVWCNFNHUJW-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62750606) is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CNC(C)c1sc(N(C)CC(F)(F)F)nc1C.
What is the InChIKey of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is BMLCVWCNFNHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-6(14-3)8-7(2)15-9(17-8)16(4)5-10(11,12)13/h6,14H,5H2,1-4H3.
What are the key properties of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).