N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H20F3N3S — CID 62753040

IUPACN-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C13H20F3N3S/c1-4-17-8(2)11-9(3)18-12(20-11)19(10-5-6-10)7-13(14,15)16/h8,10,17H,4-7H2,1-3H3
InChIKeyVKJGFUDHBQTVAZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.65
Rot. Bonds6

About N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62753040) has the molecular formula C13H20F3N3S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62753040
Molecular FormulaC13H20F3N3S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC NameN-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C13H20F3N3S/c1-4-17-8(2)11-9(3)18-12(20-11)19(10-5-6-10)7-13(14,15)16/h8,10,17H,4-7H2,1-3H3
InChIKeyVKJGFUDHBQTVAZ-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62753040) is N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNC(C)c1sc(N(CC(F)(F)F)C2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is VKJGFUDHBQTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-4-17-8(2)11-9(3)18-12(20-11)19(10-5-6-10)7-13(14,15)16/h8,10,17H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 307.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).