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

C14H22F3N3S — CID 62753219

IUPACN-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C14H22F3N3S/c1-4-7-18-9(2)12-10(3)19-13(21-12)20(11-5-6-11)8-14(15,16)17/h9,11,18H,4-8H2,1-3H3
InChIKeyVHCBZLKAPVALEQ-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.04
Rot. Bonds7

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

N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62753219) has the molecular formula C14H22F3N3S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62753219
Molecular FormulaC14H22F3N3S
Molecular Weight321.41 g/mol
Exact Mass321.15
IUPAC NameN-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C14H22F3N3S/c1-4-7-18-9(2)12-10(3)19-13(21-12)20(11-5-6-11)8-14(15,16)17/h9,11,18H,4-8H2,1-3H3
InChIKeyVHCBZLKAPVALEQ-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62753219) is N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNC(C)c1sc(N(CC(F)(F)F)C2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is VHCBZLKAPVALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3S/c1-4-7-18-9(2)12-10(3)19-13(21-12)20(11-5-6-11)8-14(15,16)17/h9,11,18H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 321.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).